(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine

C13H12N4 — CID 82054849

IUPAC(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine
SMILESNCc1cccn2c(-c3ccccc3)nnc12
InChIInChI=1S/C13H12N4/c14-9-11-7-4-8-17-12(15-16-13(11)17)10-5-2-1-3-6-10/h1-8H,9,14H2
InChIKeyFDFNEEDLHQUDIP-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.86
Rot. Bonds2

About (3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine

(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine (PubChem CID 82054849) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is (3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine.

Molecular Properties

Compound Name(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine
PubChem CID82054849
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine
SMILESNCc1cccn2c(-c3ccccc3)nnc12
InChIInChI=1S/C13H12N4/c14-9-11-7-4-8-17-12(15-16-13(11)17)10-5-2-1-3-6-10/h1-8H,9,14H2
InChIKeyFDFNEEDLHQUDIP-UHFFFAOYSA-N
XLogP1.86
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine?
The IUPAC name of (3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine (CID 82054849) is (3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine.
What is the SMILES notation for (3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine?
The canonical SMILES for (3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine is NCc1cccn2c(-c3ccccc3)nnc12.
What is the InChIKey of (3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine?
The InChIKey is FDFNEEDLHQUDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-9-11-7-4-8-17-12(15-16-13(11)17)10-5-2-1-3-6-10/h1-8H,9,14H2.
What are the key properties of (3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine?
(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine has a molecular weight of 224.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine is sourced from PubChem (CID 82054849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).