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CAS 1183178-48-4 (3-Methyl-1H-1,2,4-triazol-5-yl)methanol molecular structure lightbox
CAS RN: 1183178-48-4

(3-Methyl-1H-1,2,4-triazol-5-yl)methanol

  • Product code: SSC-018101
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1183178-48-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1183178-48-4 / (5-methyl-1H-1,2,4-triazol-3-yl)methanol

(5-methyl-1H-1,2,4-triazol-3-yl)methanol | RefChem:404101 | 834-524-3

Standard CAS: 1183178-48-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1183178-48-4
Multi CAS
Yes
Molecular Formula
C4H7N3O
Molecular Weight
113.120000
Exact Mass
113.058912
SMILES
CC1=NC(=NN1)CO
InChI
InChI=1S/C4H7N3O/c1-3-5-4(2-8)7-6-3/h8H,2H2,1H3,(H,5,6,7)
InChIKey
BMTFHVKZYIOHBE-UHFFFAOYSA-N
Synonyms
(5-methyl-1H-1,2,4-triazol-3-yl)methanol RefChem:404101 834-524-3 (3-methyl-1H-1,2,4-triazol-5-yl)methanol MFCD12766835

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
27.04
TPSA
61.8

LogP / Solubility

WLOGP
-0.39
MLOGP
-0.36
XLogP3
-0.5
Consensus LogP
-0.42
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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