8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile

C20H13N5 — CID 66495692

IUPAC8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
SMILESN#Cc1nnc2c(-c3ccccc3)cnn2c1/C=C/c1ccccc1
InChIInChI=1S/C20H13N5/c21-13-18-19(12-11-15-7-3-1-4-8-15)25-20(24-23-18)17(14-22-25)16-9-5-2-6-10-16/h1-12,14H/b12-11+
InChIKeyYSRSVWKOBXQKLR-VAWYXSNFSA-N
MW323.36 g/mol
LogP3.83
Rot. Bonds3

About 8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile

8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile (PubChem CID 66495692) has the molecular formula C20H13N5 and a molecular weight of 323.36 g/mol. Its IUPAC name is 8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile.

Molecular Properties

Compound Name8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
PubChem CID66495692
Molecular FormulaC20H13N5
Molecular Weight323.36 g/mol
Exact Mass323.12
IUPAC Name8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
SMILESN#Cc1nnc2c(-c3ccccc3)cnn2c1/C=C/c1ccccc1
InChIInChI=1S/C20H13N5/c21-13-18-19(12-11-15-7-3-1-4-8-15)25-20(24-23-18)17(14-22-25)16-9-5-2-6-10-16/h1-12,14H/b12-11+
InChIKeyYSRSVWKOBXQKLR-VAWYXSNFSA-N
XLogP3.83
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile 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 8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
The IUPAC name of 8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile (CID 66495692) is 8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile.
What is the SMILES notation for 8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
The canonical SMILES for 8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile is N#Cc1nnc2c(-c3ccccc3)cnn2c1/C=C/c1ccccc1.
What is the InChIKey of 8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
The InChIKey is YSRSVWKOBXQKLR-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H13N5/c21-13-18-19(12-11-15-7-3-1-4-8-15)25-20(24-23-18)17(14-22-25)16-9-5-2-6-10-16/h1-12,14H/b12-11+.
What are the key properties of 8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile?
8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile has a molecular weight of 323.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-4-[(E)-2-phenylethenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile is sourced from PubChem (CID 66495692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).