2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine

C15H21FN4 — CID 79438181

IUPAC2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ncnn1C)c1ccc(F)cc1
InChIInChI=1S/C15H21FN4/c1-11(2)17-9-13(8-15-18-10-19-20(15)3)12-4-6-14(16)7-5-12/h4-7,10-11,13,17H,8-9H2,1-3H3
InChIKeyKDOWLNSREKJEIN-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.28
Rot. Bonds6

About 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine

2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 79438181) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine
PubChem CID79438181
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ncnn1C)c1ccc(F)cc1
InChIInChI=1S/C15H21FN4/c1-11(2)17-9-13(8-15-18-10-19-20(15)3)12-4-6-14(16)7-5-12/h4-7,10-11,13,17H,8-9H2,1-3H3
InChIKeyKDOWLNSREKJEIN-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-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 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine (CID 79438181) is 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1ncnn1C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is KDOWLNSREKJEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-11(2)17-9-13(8-15-18-10-19-20(15)3)12-4-6-14(16)7-5-12/h4-7,10-11,13,17H,8-9H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine?
2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 276.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79438181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).