4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole

C13H17N7 — CID 50898206

IUPAC4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole
SMILESCc1nnc(-c2cnn(C)c2)n1CCCn1ccnc1
InChIInChI=1S/C13H17N7/c1-11-16-17-13(12-8-15-18(2)9-12)20(11)6-3-5-19-7-4-14-10-19/h4,7-10H,3,5-6H2,1-2H3
InChIKeyAVIYCQGZZGJVFM-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.27
Rot. Bonds5

About 4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole

4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole (PubChem CID 50898206) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole
PubChem CID50898206
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole
SMILESCc1nnc(-c2cnn(C)c2)n1CCCn1ccnc1
InChIInChI=1S/C13H17N7/c1-11-16-17-13(12-8-15-18(2)9-12)20(11)6-3-5-19-7-4-14-10-19/h4,7-10H,3,5-6H2,1-2H3
InChIKeyAVIYCQGZZGJVFM-UHFFFAOYSA-N
XLogP1.27
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-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

Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole?
The IUPAC name of 4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole (CID 50898206) is 4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole is Cc1nnc(-c2cnn(C)c2)n1CCCn1ccnc1.
What is the InChIKey of 4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole?
The InChIKey is AVIYCQGZZGJVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-11-16-17-13(12-8-15-18(2)9-12)20(11)6-3-5-19-7-4-14-10-19/h4,7-10H,3,5-6H2,1-2H3.
What are the key properties of 4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole?
4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole has a molecular weight of 271.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 50898206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).