2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

C8H9ClN4 — CID 82058702

IUPAC2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESNCCc1nnc2ccc(Cl)cn12
InChIInChI=1S/C8H9ClN4/c9-6-1-2-7-11-12-8(3-4-10)13(7)5-6/h1-2,5H,3-4,10H2
InChIKeyGJIFKUGDDDGRSM-UHFFFAOYSA-N
MW196.64 g/mol
LogP0.88
Rot. Bonds2

About 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (PubChem CID 82058702) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
PubChem CID82058702
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESNCCc1nnc2ccc(Cl)cn12
InChIInChI=1S/C8H9ClN4/c9-6-1-2-7-11-12-8(3-4-10)13(7)5-6/h1-2,5H,3-4,10H2
InChIKeyGJIFKUGDDDGRSM-UHFFFAOYSA-N
XLogP0.88
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257171
6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139739
3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine
CID 55267539
2-(6-chloroimidazo[1,5-a]pyridin-3-yl)ethanamine
CID 83869580
6-chloro-3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139653
5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine
CID 82058709
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83870127
3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139687
6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139379
2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83867856
2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 79002399
6-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139331

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The IUPAC name of 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (CID 82058702) is 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The canonical SMILES for 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is NCCc1nnc2ccc(Cl)cn12.
What is the InChIKey of 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The InChIKey is GJIFKUGDDDGRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c9-6-1-2-7-11-12-8(3-4-10)13(7)5-6/h1-2,5H,3-4,10H2.
What are the key properties of 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine has a molecular weight of 196.64 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 82058702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).