2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile

C20H15N5 — CID 59929385

IUPAC2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile
SMILESCc1ccc(-c2nc3c(C#N)c(/C=N/c4ccccc4)cn3[nH]2)cc1
InChIInChI=1S/C20H15N5/c1-14-7-9-15(10-8-14)19-23-20-18(11-21)16(13-25(20)24-19)12-22-17-5-3-2-4-6-17/h2-10,12-13H,1H3,(H,23,24)/b22-12+
InChIKeyNOLNBSUEVWOLFC-WSDLNYQXSA-N
MW325.38 g/mol
LogP4.26
Rot. Bonds3

About 2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile

2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile (PubChem CID 59929385) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile
PubChem CID59929385
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile
SMILESCc1ccc(-c2nc3c(C#N)c(/C=N/c4ccccc4)cn3[nH]2)cc1
InChIInChI=1S/C20H15N5/c1-14-7-9-15(10-8-14)19-23-20-18(11-21)16(13-25(20)24-19)12-22-17-5-3-2-4-6-17/h2-10,12-13H,1H3,(H,23,24)/b22-12+
InChIKeyNOLNBSUEVWOLFC-WSDLNYQXSA-N
XLogP4.26
TPSA69.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]methyl]benzonitrile
CID 168237680
4-[1-Phenyl-4-(1,2,4-triazol-1-ylmethyl)pyrazol-3-yl]benzonitrile
CID 137657017
5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1H-1,2,4-triazole
CID 129041984
2-[3-methyl-5-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-triazol-1-yl]pyridine
CID 50952646
2-(4-Methylphenyl)-1,6-diphenyl-7-(trifluoromethyl)pyrrolo[1,2-b][1,2,4]triazole
CID 20578622
4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-5H-imidazo[1,2-b]pyrazol-6-yl]benzonitrile
CID 123650242
5-[1-(4-fluorophenyl)-4-phenylpyrrol-3-yl]-1H-1,2,4-triazole
CID 174918191
5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole
CID 174918681
6-anilino-2-phenyl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 101883123
2-amino-6-anilino-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 139220377
3-Methoxy-5-(1-phenyl-3-(p-tolyl)-1h-pyrazol-4-yl)-4h-1,2,4-triazole
CID 154572965
2-(4-fluorophenyl)-6-phenyl-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 11185723

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile?
The IUPAC name of 2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile (CID 59929385) is 2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile.
What is the SMILES notation for 2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile?
The canonical SMILES for 2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile is Cc1ccc(-c2nc3c(C#N)c(/C=N/c4ccccc4)cn3[nH]2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile?
The InChIKey is NOLNBSUEVWOLFC-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H15N5/c1-14-7-9-15(10-8-14)19-23-20-18(11-21)16(13-25(20)24-19)12-22-17-5-3-2-4-6-17/h2-10,12-13H,1H3,(H,23,24)/b22-12+.
What are the key properties of 2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile?
2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile has a molecular weight of 325.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6-(phenyliminomethyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile is sourced from PubChem (CID 59929385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).