4-(2-phenylethenyl)-2H-triazole

C10H9N3 — CID 54109008

IUPAC4-(2-phenylethenyl)-2H-triazole
SMILESC(=Cc1cn[nH]n1)c1ccccc1
InChIInChI=1S/C10H9N3/c1-2-4-9(5-3-1)6-7-10-8-11-13-12-10/h1-8H,(H,11,12,13)
InChIKeyNFTJXZCGGJKWDD-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.98
Rot. Bonds2

About 4-(2-phenylethenyl)-2H-triazole

4-(2-phenylethenyl)-2H-triazole (PubChem CID 54109008) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-(2-phenylethenyl)-2H-triazole.

Molecular Properties

Compound Name4-(2-phenylethenyl)-2H-triazole
PubChem CID54109008
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name4-(2-phenylethenyl)-2H-triazole
SMILESC(=Cc1cn[nH]n1)c1ccccc1
InChIInChI=1S/C10H9N3/c1-2-4-9(5-3-1)6-7-10-8-11-13-12-10/h1-8H,(H,11,12,13)
InChIKeyNFTJXZCGGJKWDD-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-phenylethenyl)-2H-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-(2-phenylethenyl)-2H-triazole?
The IUPAC name of 4-(2-phenylethenyl)-2H-triazole (CID 54109008) is 4-(2-phenylethenyl)-2H-triazole.
What is the SMILES notation for 4-(2-phenylethenyl)-2H-triazole?
The canonical SMILES for 4-(2-phenylethenyl)-2H-triazole is C(=Cc1cn[nH]n1)c1ccccc1.
What is the InChIKey of 4-(2-phenylethenyl)-2H-triazole?
The InChIKey is NFTJXZCGGJKWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-4-9(5-3-1)6-7-10-8-11-13-12-10/h1-8H,(H,11,12,13).
What are the key properties of 4-(2-phenylethenyl)-2H-triazole?
4-(2-phenylethenyl)-2H-triazole has a molecular weight of 171.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenyl)-2H-triazole is sourced from PubChem (CID 54109008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).