(5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide

C17H14N4O2 — CID 139227892

IUPAC(5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide
SMILESNC(=O)N1NC(=O)/C(=C/c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C17H14N4O2/c18-17(23)21-15(13-9-5-2-6-10-13)19-14(16(22)20-21)11-12-7-3-1-4-8-12/h1-11H,(H2,18,23)(H,20,22)/b14-11-
InChIKeyAGRGJYCKQOFWMF-KAMYIIQDSA-N
MW306.33 g/mol
LogP1.90
Rot. Bonds2

About (5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide

(5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide (PubChem CID 139227892) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is (5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide.

Molecular Properties

Compound Name(5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide
PubChem CID139227892
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name(5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide
SMILESNC(=O)N1NC(=O)/C(=C/c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C17H14N4O2/c18-17(23)21-15(13-9-5-2-6-10-13)19-14(16(22)20-21)11-12-7-3-1-4-8-12/h1-11H,(H2,18,23)(H,20,22)/b14-11-
InChIKeyAGRGJYCKQOFWMF-KAMYIIQDSA-N
XLogP1.90
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_D(1)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-benzylidene-5-oxo-2-phenylimidazole-1-carboxamide
CID 11543853
(5E)-2-benzoyl-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-1H-1,2,4-triazin-6-one
CID 46935240
(5Z)-5-[(4-bromophenyl)methylidene]-2-(4-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazin-6-one
CID 155814411
(5E)-5-[(4-methoxyphenyl)methylidene]-2-(4-nitrobenzoyl)-3-phenyl-1H-1,2,4-triazin-6-one
CID 46934668
(5Z)-5-[(2-fluorophenyl)methylidene]-2-(4-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazin-6-one
CID 155808133
(5Z)-2-benzoyl-5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-3-phenyl-1H-1,2,4-triazin-6-one
CID 155809565
(5E)-5-[(4-chlorophenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one
CID 126963297
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
(5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 682030
(5E)-5-benzylidene-1,3-diphenyl-2H-1,2,4-triazin-6-one
CID 6085341
methyl 4-[(E)-(5-oxo-2-phenyl-1H-imidazol-4-ylidene)methyl]benzoate
CID 136698334
(5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one
CID 20845059

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide?
The IUPAC name of (5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide (CID 139227892) is (5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide.
What is the SMILES notation for (5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide?
The canonical SMILES for (5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide is NC(=O)N1NC(=O)/C(=C/c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of (5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide?
The InChIKey is AGRGJYCKQOFWMF-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H14N4O2/c18-17(23)21-15(13-9-5-2-6-10-13)19-14(16(22)20-21)11-12-7-3-1-4-8-12/h1-11H,(H2,18,23)(H,20,22)/b14-11-.
What are the key properties of (5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide?
(5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-6-oxo-3-phenyl-1H-1,2,4-triazine-2-carboxamide is sourced from PubChem (CID 139227892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).