4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole

C17H15N3 — CID 115393362

IUPAC4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole
SMILESc1ccc(C2CC2c2nncn2-c2ccccc2)cc1
InChIInChI=1S/C17H15N3/c1-3-7-13(8-4-1)15-11-16(15)17-19-18-12-20(17)14-9-5-2-6-10-14/h1-10,12,15-16H,11H2
InChIKeyKBMUNNZRPMCYEQ-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.54
Rot. Bonds3

About 4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole

4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole (PubChem CID 115393362) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole
PubChem CID115393362
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole
SMILESc1ccc(C2CC2c2nncn2-c2ccccc2)cc1
InChIInChI=1S/C17H15N3/c1-3-7-13(8-4-1)15-11-16(15)17-19-18-12-20(17)14-9-5-2-6-10-14/h1-10,12,15-16H,11H2
InChIKeyKBMUNNZRPMCYEQ-UHFFFAOYSA-N
XLogP3.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole?
The IUPAC name of 4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole (CID 115393362) is 4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole.
What is the SMILES notation for 4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole?
The canonical SMILES for 4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole is c1ccc(C2CC2c2nncn2-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole?
The InChIKey is KBMUNNZRPMCYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-3-7-13(8-4-1)15-11-16(15)17-19-18-12-20(17)14-9-5-2-6-10-14/h1-10,12,15-16H,11H2.
What are the key properties of 4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole?
4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole has a molecular weight of 261.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(2-phenylcyclopropyl)-1,2,4-triazole is sourced from PubChem (CID 115393362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).