(Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide

C19H15N5O — CID 52555357

IUPAC(Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
SMILESCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H15N5O/c1-14-4-2-3-5-18(14)23-19(25)16(11-20)10-15-6-8-17(9-7-15)24-13-21-12-22-24/h2-10,12-13H,1H3,(H,23,25)/b16-10-
InChIKeyZRIZEZVKQGDCMD-YBEGLDIGSA-N
MW329.36 g/mol
LogP3.12
Rot. Bonds4

About (Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide

(Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide (PubChem CID 52555357) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
PubChem CID52555357
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name(Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
SMILESCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H15N5O/c1-14-4-2-3-5-18(14)23-19(25)16(11-20)10-15-6-8-17(9-7-15)24-13-21-12-22-24/h2-10,12-13H,1H3,(H,23,25)/b16-10-
InChIKeyZRIZEZVKQGDCMD-YBEGLDIGSA-N
XLogP3.12
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide 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-benzyl-2-cyano-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
CID 76858246
(Z)-2-cyano-N-(3-ethoxypropyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
CID 52555364
(E)-2-(2,6-dichlorobenzoyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enenitrile
CID 134040824
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9030674
2-cyano-N-(2-methylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 878232
(Z)-2-cyano-N-(2-methylphenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 2369988
3-(2-chlorophenyl)-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 4796926
(Z)-2-cyano-N-(2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 98859448
4-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-nitrophenolate
CID 7333267
(E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide
CID 7966917
(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylphenyl)prop-2-enamide
CID 6286554
(Z)-2-cyano-3-[4-(3-methylbutoxy)phenyl]-N-(2-methylphenyl)prop-2-enamide
CID 78786079

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide (CID 52555357) is (Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide is Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-n2cncn2)cc1.
What is the InChIKey of (Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide?
The InChIKey is ZRIZEZVKQGDCMD-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H15N5O/c1-14-4-2-3-5-18(14)23-19(25)16(11-20)10-15-6-8-17(9-7-15)24-13-21-12-22-24/h2-10,12-13H,1H3,(H,23,25)/b16-10-.
What are the key properties of (Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide?
(Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide has a molecular weight of 329.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-methylphenyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 52555357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).