(E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide

C12H12N4O2 — CID 83092558

IUPAC(E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide
SMILESCOc1n[nH]c(NC(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C12H12N4O2/c1-18-12-14-11(15-16-12)13-10(17)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H2,13,14,15,16,17)/b8-7+
InChIKeyLQSGJJTZFXIZTM-BQYQJAHWSA-N
MW244.25 g/mol
LogP1.47
Rot. Bonds4

About (E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide

(E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide (PubChem CID 83092558) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is (E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide
PubChem CID83092558
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name(E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide
SMILESCOc1n[nH]c(NC(=O)/C=C/c2ccccc2)n1
InChIInChI=1S/C12H12N4O2/c1-18-12-14-11(15-16-12)13-10(17)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H2,13,14,15,16,17)/b8-7+
InChIKeyLQSGJJTZFXIZTM-BQYQJAHWSA-N
XLogP1.47
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 83101611
(E)-3-(4-ethoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 83090120
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
CID 83102734
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide
CID 83092837
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
(E)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 108756561
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide
CID 83102478
3-phenyl-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 61393054
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide
CID 35332007

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide (CID 83092558) is (E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide is COc1n[nH]c(NC(=O)/C=C/c2ccccc2)n1.
What is the InChIKey of (E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide?
The InChIKey is LQSGJJTZFXIZTM-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-12-14-11(15-16-12)13-10(17)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H2,13,14,15,16,17)/b8-7+.
What are the key properties of (E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide?
(E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide has a molecular weight of 244.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 83092558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).