1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole

C16H17N5 — CID 118870159

IUPAC1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole
SMILESCc1nccn1Cc1cn(-c2cccc(C3CC3)c2)nn1
InChIInChI=1S/C16H17N5/c1-12-17-7-8-20(12)10-15-11-21(19-18-15)16-4-2-3-14(9-16)13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3
InChIKeyBCMMYCCUZMUCKE-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.70
Rot. Bonds4

About 1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole

1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole (PubChem CID 118870159) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole
PubChem CID118870159
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole
SMILESCc1nccn1Cc1cn(-c2cccc(C3CC3)c2)nn1
InChIInChI=1S/C16H17N5/c1-12-17-7-8-20(12)10-15-11-21(19-18-15)16-4-2-3-14(9-16)13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3
InChIKeyBCMMYCCUZMUCKE-UHFFFAOYSA-N
XLogP2.70
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole 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 1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole?
The IUPAC name of 1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole (CID 118870159) is 1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole.
What is the SMILES notation for 1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole?
The canonical SMILES for 1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole is Cc1nccn1Cc1cn(-c2cccc(C3CC3)c2)nn1.
What is the InChIKey of 1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole?
The InChIKey is BCMMYCCUZMUCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12-17-7-8-20(12)10-15-11-21(19-18-15)16-4-2-3-14(9-16)13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3.
What are the key properties of 1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole?
1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole has a molecular weight of 279.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole is sourced from PubChem (CID 118870159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).