[email protected]
CAS 10179-84-7 1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine (9CI) molecular structure lightbox
CAS RN: 10179-84-7

1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine (9CI)

  • Product code: SSC-002823
GET A QUOTE
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: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 10179-84-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

10179-84-7 / 2H-triazolo[4,5-d]pyrimidin-5-amine

3H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine | 2H-triazolo[4,5-d]pyrimidin-5-amine | 1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine

Standard CAS: 10179-84-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10179-84-7
Multi CAS
No
Molecular Formula
C4H4N6
Molecular Weight
136.120000
Exact Mass
136.049744
SMILES
C1=NC(=NC2=NNN=C21)N
InChI
InChI=1S/C4H4N6/c5-4-6-1-2-3(7-4)9-10-8-2/h1H,(H3,5,6,7,8,9,10)
InChIKey
VJCQEPWQSBKWTE-UHFFFAOYSA-N
Synonyms
3H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine 2H-triazolo[4,5-d]pyrimidin-5-amine 1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine 6H-[1,2,3]Triazolo[4,5-d]pyrimidin-5-amine 1H-1,2,3-Triazolo[4,5-d]pyrimidin-5-amine

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
33.89
TPSA
93.37

LogP / Solubility

WLOGP
-0.67
MLOGP
-0.6
XLogP3
-0.7
Consensus LogP
-0.66
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.01
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.03

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us