3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole

C16H22N4 — CID 106979130

IUPAC3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole
SMILESCCCC1(c2nnc(C)n2-c2ccccc2)CCCN1
InChIInChI=1S/C16H22N4/c1-3-10-16(11-7-12-17-16)15-19-18-13(2)20(15)14-8-5-4-6-9-14/h4-6,8-9,17H,3,7,10-12H2,1-2H3
InChIKeyQNVMMRGNRASJKZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.95
Rot. Bonds4

About 3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole

3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole (PubChem CID 106979130) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole
PubChem CID106979130
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole
SMILESCCCC1(c2nnc(C)n2-c2ccccc2)CCCN1
InChIInChI=1S/C16H22N4/c1-3-10-16(11-7-12-17-16)15-19-18-13(2)20(15)14-8-5-4-6-9-14/h4-6,8-9,17H,3,7,10-12H2,1-2H3
InChIKeyQNVMMRGNRASJKZ-UHFFFAOYSA-N
XLogP2.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole with MolForge

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

Launch Full Analysis

Related Compounds

1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole
CID 107330715
4-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperidine
CID 63124270
2-(2-fluorophenyl)-2-propylpyrrolidine
CID 66468299
2-phenyl-2-propylazepane
CID 79117631
1-methyl-2-(2-propylpyrrolidin-2-yl)imidazole
CID 66467396
3-(2-propylpyrrolidin-2-yl)pyridine
CID 66468075
1-methyl-5-(2-propylpyrrolidin-2-yl)pyrazole
CID 66467391
2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole
CID 106977720
2-methyl-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 82764014
[4-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexyl]methanamine
CID 115443135
1-ethyl-5-methyl-2-(2-propylpyrrolidin-2-yl)benzimidazole
CID 106977729
1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole
CID 66467395

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole?
The IUPAC name of 3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole (CID 106979130) is 3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole.
What is the SMILES notation for 3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole?
The canonical SMILES for 3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole is CCCC1(c2nnc(C)n2-c2ccccc2)CCCN1.
What is the InChIKey of 3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole?
The InChIKey is QNVMMRGNRASJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-10-16(11-7-12-17-16)15-19-18-13(2)20(15)14-8-5-4-6-9-14/h4-6,8-9,17H,3,7,10-12H2,1-2H3.
What are the key properties of 3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole?
3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole has a molecular weight of 270.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole is sourced from PubChem (CID 106979130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).