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

C8H9ClN4 — CID 83870127

IUPAC1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCC(N)c1nnc2ccc(Cl)cn12
InChIInChI=1S/C8H9ClN4/c1-5(10)8-12-11-7-3-2-6(9)4-13(7)8/h2-5H,10H2,1H3
InChIKeyAWDBXLUJWQSVHO-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.40
Rot. Bonds1

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

1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (PubChem CID 83870127) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
PubChem CID83870127
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCC(N)c1nnc2ccc(Cl)cn12
InChIInChI=1S/C8H9ClN4/c1-5(10)8-12-11-7-3-2-6(9)4-13(7)8/h2-5H,10H2,1H3
InChIKeyAWDBXLUJWQSVHO-UHFFFAOYSA-N
XLogP1.40
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-[1,2,4]triazolo[4,3-a]pyridine
CID 55267539
1-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)ethanamine
CID 83867541
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 82058702
(1S)-1-[6-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 99982075
6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 46226973
6-chloro-3-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139739
(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257171
2-amino-2-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanol
CID 83889517
6-chloro-3-(5-chloro-2-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 39771078
1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83866519
2-amino-N-[(1R)-2-(4-tert-butylphenyl)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-methylpropanamide
CID 58783610
(1R)-1-[6-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-2-methylpropan-1-amine
CID 99982532

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (CID 83870127) is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The canonical SMILES for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is CC(N)c1nnc2ccc(Cl)cn12.
What is the InChIKey of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The InChIKey is AWDBXLUJWQSVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c1-5(10)8-12-11-7-3-2-6(9)4-13(7)8/h2-5H,10H2,1H3.
What are the key properties of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine has a molecular weight of 196.64 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 83870127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).