2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole

C14H16N6 — CID 147515450

IUPAC2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole
SMILESCC(C)Cc1cc(-n2nccn2)cc(-n2nccn2)c1
InChIInChI=1S/C14H16N6/c1-11(2)7-12-8-13(19-15-3-4-16-19)10-14(9-12)20-17-5-6-18-20/h3-6,8-11H,7H2,1-2H3
InChIKeyFKDCCZPGEUSAFQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.05
Rot. Bonds4

About 2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole

2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole (PubChem CID 147515450) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole
PubChem CID147515450
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole
SMILESCC(C)Cc1cc(-n2nccn2)cc(-n2nccn2)c1
InChIInChI=1S/C14H16N6/c1-11(2)7-12-8-13(19-15-3-4-16-19)10-14(9-12)20-17-5-6-18-20/h3-6,8-11H,7H2,1-2H3
InChIKeyFKDCCZPGEUSAFQ-UHFFFAOYSA-N
XLogP2.05
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]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 2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole?
The IUPAC name of 2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole (CID 147515450) is 2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole.
What is the SMILES notation for 2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole?
The canonical SMILES for 2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole is CC(C)Cc1cc(-n2nccn2)cc(-n2nccn2)c1.
What is the InChIKey of 2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole?
The InChIKey is FKDCCZPGEUSAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-11(2)7-12-8-13(19-15-3-4-16-19)10-14(9-12)20-17-5-6-18-20/h3-6,8-11H,7H2,1-2H3.
What are the key properties of 2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole?
2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole has a molecular weight of 268.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole is sourced from PubChem (CID 147515450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).