3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C13H11ClN4 — CID 117146911

IUPAC3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cccn2c(Cc3cccc(Cl)c3)nnc12
InChIInChI=1S/C13H11ClN4/c14-10-4-1-3-9(7-10)8-12-16-17-13-11(15)5-2-6-18(12)13/h1-7H,8,15H2
InChIKeyJDASHDABJPYWGV-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.56
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine

3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 117146911) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID117146911
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cccn2c(Cc3cccc(Cl)c3)nnc12
InChIInChI=1S/C13H11ClN4/c14-10-4-1-3-9(7-10)8-12-16-17-13-11(15)5-2-6-18(12)13/h1-7H,8,15H2
InChIKeyJDASHDABJPYWGV-UHFFFAOYSA-N
XLogP2.56
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147677
3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117257411
8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146916
(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257434
2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
CID 117146993
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146892
8-chloro-3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 105393470
3-[(3-chlorophenyl)methyl]imidazo[1,5-a]pyridine
CID 117139524
5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine
CID 66629043
6-chloro-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080073
8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117147341
3-benzyl-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 39080157

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 117146911) is 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Nc1cccn2c(Cc3cccc(Cl)c3)nnc12.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is JDASHDABJPYWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-10-4-1-3-9(7-10)8-12-16-17-13-11(15)5-2-6-18(12)13/h1-7H,8,15H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 258.71 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 117146911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).