(4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone

C19H15N5O — CID 162642933

IUPAC(4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone
SMILESCc1ccc(C(=O)n2cc(/C=N/n3cnnc3)c3ccccc32)cc1
InChIInChI=1S/C19H15N5O/c1-14-6-8-15(9-7-14)19(25)24-11-16(10-22-23-12-20-21-13-23)17-4-2-3-5-18(17)24/h2-13H,1H3/b22-10+
InChIKeyFBBMRTIYSYHNBF-LSHDLFTRSA-N
MW329.36 g/mol
LogP3.11
Rot. Bonds3

About (4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone

(4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone (PubChem CID 162642933) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is (4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone
PubChem CID162642933
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name(4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone
SMILESCc1ccc(C(=O)n2cc(/C=N/n3cnnc3)c3ccccc32)cc1
InChIInChI=1S/C19H15N5O/c1-14-6-8-15(9-7-14)19(25)24-11-16(10-22-23-12-20-21-13-23)17-4-2-3-5-18(17)24/h2-13H,1H3/b22-10+
InChIKeyFBBMRTIYSYHNBF-LSHDLFTRSA-N
XLogP3.11
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone 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

N-[(1-benzyl-1H-indol-3-yl)methylene]-4H-1,2,4-triazol-4-amine
CID 6858802
[3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-indol-1-yl]-phenyl-methanone
CID 23288143
US10214537, Example 12
CID 132209870
4-(1H-imidazol-5-yl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 155134986
4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 155128767
[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl](4-methylphenyl)methanone
CID 1477633
N-[2-(1H-indol-3-yl)ethyl]-4-(1H-tetrazol-1-yl)benzamide
CID 2116123
4-Acetylamino-N-methyl-N-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylmethyl}-benzamide
CID 10768115
(2Z)-3-(1-Ethyl-1H-indol-3-YL)-N-[3-(1H-imidazol-1-YL)propyl]-2-[(4-methylphenyl)formamido]prop-2-enamide
CID 16012750
N-[(1Z)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-1-(1-methyl-1H-indol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 17573625
4-[2-Amino-4-(1-methyl-1H-indol-3-yl)pyrimidin-5-yl]benzamide
CID 45268224
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 71453111

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone (CID 162642933) is (4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone is Cc1ccc(C(=O)n2cc(/C=N/n3cnnc3)c3ccccc32)cc1.
What is the InChIKey of (4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone?
The InChIKey is FBBMRTIYSYHNBF-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H15N5O/c1-14-6-8-15(9-7-14)19(25)24-11-16(10-22-23-12-20-21-13-23)17-4-2-3-5-18(17)24/h2-13H,1H3/b22-10+.
What are the key properties of (4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone?
(4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone has a molecular weight of 329.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[3-[(E)-1,2,4-triazol-4-yliminomethyl]indol-1-yl]methanone is sourced from PubChem (CID 162642933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).