1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride

C12H10ClF2N5 — CID 22149400

IUPAC1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride
SMILESCl.Nc1nccc2c1nnn2Cc1c(F)cccc1F
InChIInChI=1S/C12H9F2N5.ClH/c13-8-2-1-3-9(14)7(8)6-19-10-4-5-16-12(15)11(10)17-18-19;/h1-5H,6H2,(H2,15,16);1H
InChIKeyJKXUBXRPDZPXOD-UHFFFAOYSA-N
MW297.70 g/mol
LogP2.16
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride

1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride (PubChem CID 22149400) has the molecular formula C12H10ClF2N5 and a molecular weight of 297.70 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride
PubChem CID22149400
Molecular FormulaC12H10ClF2N5
Molecular Weight297.70 g/mol
Exact Mass297.06
IUPAC Name1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride
SMILESCl.Nc1nccc2c1nnn2Cc1c(F)cccc1F
InChIInChI=1S/C12H9F2N5.ClH/c13-8-2-1-3-9(14)7(8)6-19-10-4-5-16-12(15)11(10)17-18-19;/h1-5H,6H2,(H2,15,16);1H
InChIKeyJKXUBXRPDZPXOD-UHFFFAOYSA-N
XLogP2.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride (CID 22149400) is 1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride is Cl.Nc1nccc2c1nnn2Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride?
The InChIKey is JKXUBXRPDZPXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N5.ClH/c13-8-2-1-3-9(14)7(8)6-19-10-4-5-16-12(15)11(10)17-18-19;/h1-5H,6H2,(H2,15,16);1H.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride?
1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride has a molecular weight of 297.70 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride is sourced from PubChem (CID 22149400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).