6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C11H9ClN4S — CID 39080071

IUPAC6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Cl)cn2c(Cc3cccs3)nnc12
InChIInChI=1S/C11H9ClN4S/c12-7-4-9(13)11-15-14-10(16(11)6-7)5-8-2-1-3-17-8/h1-4,6H,5,13H2
InChIKeyHHAXBGWDZPBKKS-UHFFFAOYSA-N
MW264.74 g/mol
LogP2.62
Rot. Bonds2

About 6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine

6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 39080071) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is 6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID39080071
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(Cl)cn2c(Cc3cccs3)nnc12
InChIInChI=1S/C11H9ClN4S/c12-7-4-9(13)11-15-14-10(16(11)6-7)5-8-2-1-3-17-8/h1-4,6H,5,13H2
InChIKeyHHAXBGWDZPBKKS-UHFFFAOYSA-N
XLogP2.62
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 39080071) is 6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Nc1cc(Cl)cn2c(Cc3cccs3)nnc12.
What is the InChIKey of 6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is HHAXBGWDZPBKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c12-7-4-9(13)11-15-14-10(16(11)6-7)5-8-2-1-3-17-8/h1-4,6H,5,13H2.
What are the key properties of 6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 264.74 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 39080071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).