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

C17H18FN5 — CID 133081412

IUPACN-[(4-fluorophenyl)methyl]-2-propyl-5-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESCCCn1nc(-c2ccccn2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C17H18FN5/c1-2-11-23-17(20-12-13-6-8-14(18)9-7-13)21-16(22-23)15-5-3-4-10-19-15/h3-10H,2,11-12H2,1H3,(H,20,21,22)
InChIKeyYCFXPBGRVJCEGQ-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.50
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-2-propyl-5-pyridin-2-yl-1,2,4-triazol-3-amine (PubChem CID 133081412) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-propyl-5-pyridin-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-propyl-5-pyridin-2-yl-1,2,4-triazol-3-amine
PubChem CID133081412
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-propyl-5-pyridin-2-yl-1,2,4-triazol-3-amine
SMILESCCCn1nc(-c2ccccn2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C17H18FN5/c1-2-11-23-17(20-12-13-6-8-14(18)9-7-13)21-16(22-23)15-5-3-4-10-19-15/h3-10H,2,11-12H2,1H3,(H,20,21,22)
InChIKeyYCFXPBGRVJCEGQ-UHFFFAOYSA-N
XLogP3.50
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-2-propyl-5-pyridin-2-yl-1,2,4-triazol-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 N-[(4-fluorophenyl)methyl]-2-propyl-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-propyl-5-pyridin-2-yl-1,2,4-triazol-3-amine (CID 133081412) is N-[(4-fluorophenyl)methyl]-2-propyl-5-pyridin-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-propyl-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-propyl-5-pyridin-2-yl-1,2,4-triazol-3-amine is CCCn1nc(-c2ccccn2)nc1NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-propyl-5-pyridin-2-yl-1,2,4-triazol-3-amine?
The InChIKey is YCFXPBGRVJCEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c1-2-11-23-17(20-12-13-6-8-14(18)9-7-13)21-16(22-23)15-5-3-4-10-19-15/h3-10H,2,11-12H2,1H3,(H,20,21,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-propyl-5-pyridin-2-yl-1,2,4-triazol-3-amine?
N-[(4-fluorophenyl)methyl]-2-propyl-5-pyridin-2-yl-1,2,4-triazol-3-amine has a molecular weight of 311.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-propyl-5-pyridin-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 133081412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).