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CAS 31603-03-9 1-(1H-1,2,3,4-tetrazol-5-yl)propan-1-amine molecular structure lightbox
CAS RN: 31603-03-9

1-(1H-1,2,3,4-tetrazol-5-yl)propan-1-amine

  • Product code: SSC-137029
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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 31603-03-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

31603-03-9 / 1-(2H-tetrazol-5-yl)propan-1-amine

Standard CAS: 31603-03-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31603-03-9
Multi CAS
No
Molecular Formula
C4H9N5
Molecular Weight
127.150000
Exact Mass
127.085795
InChI
InChI=1S/C4H9N5/c1-2-3(5)4-6-8-9-7-4/h3H,2,5H2,1H3,(H,6,7,8,9)
InChIKey
DOFDXNNXHHZWCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
31.4
TPSA
80.48

LogP / Solubility

WLOGP
-0.39
MLOGP
-0.35
XLogP3
-0.7
Consensus LogP
-0.48
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.4
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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