(Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide

C12H12N4O — CID 92902021

IUPAC(Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
SMILESCc1ccc(/C=C\C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C12H12N4O/c1-10-2-4-11(5-3-10)6-7-12(17)15-16-8-13-14-9-16/h2-9H,1H3,(H,15,17)/b7-6-
InChIKeyZRRRGYNYSHEKKO-SREVYHEPSA-N
MW228.25 g/mol
LogP1.37
Rot. Bonds3

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

(Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide (PubChem CID 92902021) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is (Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
PubChem CID92902021
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name(Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
SMILESCc1ccc(/C=C\C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C12H12N4O/c1-10-2-4-11(5-3-10)6-7-12(17)15-16-8-13-14-9-16/h2-9H,1H3,(H,15,17)/b7-6-
InChIKeyZRRRGYNYSHEKKO-SREVYHEPSA-N
XLogP1.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-nitrophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
CID 917119
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
(E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
CID 6008904
(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide
CID 92898615
3-(furan-2-yl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
CID 824100
3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 4621052
4-oxo-4-(1,2,4-triazol-4-ylamino)but-2-enoic acid
CID 4299909
(E)-3-(4-methylphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 17011477
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,2,4-triazol-4-yl)benzamide
CID 21369460
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
(E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 897562

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide (CID 92902021) is (Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide is Cc1ccc(/C=C\C(=O)Nn2cnnc2)cc1.
What is the InChIKey of (Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide?
The InChIKey is ZRRRGYNYSHEKKO-SREVYHEPSA-N. The full InChI is InChI=1S/C12H12N4O/c1-10-2-4-11(5-3-10)6-7-12(17)15-16-8-13-14-9-16/h2-9H,1H3,(H,15,17)/b7-6-.
What are the key properties of (Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide?
(Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide has a molecular weight of 228.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide is sourced from PubChem (CID 92902021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).