5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine

C14H12BrN5 — CID 84595860

IUPAC5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine
SMILESBrc1cncc(NCc2nncn2-c2ccccc2)c1
InChIInChI=1S/C14H12BrN5/c15-11-6-12(8-16-7-11)17-9-14-19-18-10-20(14)13-4-2-1-3-5-13/h1-8,10,17H,9H2
InChIKeyJLEOTSDJSUAKQT-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.04
Rot. Bonds4

About 5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine

5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine (PubChem CID 84595860) has the molecular formula C14H12BrN5 and a molecular weight of 330.19 g/mol. Its IUPAC name is 5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine
PubChem CID84595860
Molecular FormulaC14H12BrN5
Molecular Weight330.19 g/mol
Exact Mass329.03
IUPAC Name5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine
SMILESBrc1cncc(NCc2nncn2-c2ccccc2)c1
InChIInChI=1S/C14H12BrN5/c15-11-6-12(8-16-7-11)17-9-14-19-18-10-20(14)13-4-2-1-3-5-13/h1-8,10,17H,9H2
InChIKeyJLEOTSDJSUAKQT-UHFFFAOYSA-N
XLogP3.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine 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 5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine (CID 84595860) is 5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine is Brc1cncc(NCc2nncn2-c2ccccc2)c1.
What is the InChIKey of 5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine?
The InChIKey is JLEOTSDJSUAKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5/c15-11-6-12(8-16-7-11)17-9-14-19-18-10-20(14)13-4-2-1-3-5-13/h1-8,10,17H,9H2.
What are the key properties of 5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine?
5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine has a molecular weight of 330.19 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 84595860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).