N-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine

C11H8ClN7S — CID 123889768

IUPACN-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine
SMILESClc1nccn2nc(NN3C=c4cnsc4=CC3)nc12
InChIInChI=1S/C11H8ClN7S/c12-9-10-15-11(17-19(10)4-2-13-9)16-18-3-1-8-7(6-18)5-14-20-8/h1-2,4-6H,3H2,(H,16,17)
InChIKeyGQQGJVFFIBLHNX-UHFFFAOYSA-N
MW305.75 g/mol
LogP0.10
Rot. Bonds2

About N-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine

N-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine (PubChem CID 123889768) has the molecular formula C11H8ClN7S and a molecular weight of 305.75 g/mol. Its IUPAC name is N-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine.

Molecular Properties

Compound NameN-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine
PubChem CID123889768
Molecular FormulaC11H8ClN7S
Molecular Weight305.75 g/mol
Exact Mass305.03
IUPAC NameN-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine
SMILESClc1nccn2nc(NN3C=c4cnsc4=CC3)nc12
InChIInChI=1S/C11H8ClN7S/c12-9-10-15-11(17-19(10)4-2-13-9)16-18-3-1-8-7(6-18)5-14-20-8/h1-2,4-6H,3H2,(H,16,17)
InChIKeyGQQGJVFFIBLHNX-UHFFFAOYSA-N
XLogP0.10
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine?
The IUPAC name of N-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine (CID 123889768) is N-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine.
What is the SMILES notation for N-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine?
The canonical SMILES for N-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine is Clc1nccn2nc(NN3C=c4cnsc4=CC3)nc12.
What is the InChIKey of N-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine?
The InChIKey is GQQGJVFFIBLHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN7S/c12-9-10-15-11(17-19(10)4-2-13-9)16-18-3-1-8-7(6-18)5-14-20-8/h1-2,4-6H,3H2,(H,16,17).
What are the key properties of N-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine?
N-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine has a molecular weight of 305.75 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-6H-[1,2]thiazolo[4,5-c]pyridin-5-amine is sourced from PubChem (CID 123889768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).