(5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one

C22H18N4O2 — CID 155809809

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one
SMILESCOc1ccc(/C=C2\N=C(c3cccnc3)N(c3ccccc3)NC2=O)cc1
InChIInChI=1S/C22H18N4O2/c1-28-19-11-9-16(10-12-19)14-20-22(27)25-26(18-7-3-2-4-8-18)21(24-20)17-6-5-13-23-15-17/h2-15H,1H3,(H,25,27)/b20-14-
InChIKeyBNAKUNINWOCARC-ZHZULCJRSA-N
MW370.41 g/mol
LogP3.43
Rot. Bonds4

About (5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one

(5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one (PubChem CID 155809809) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one
PubChem CID155809809
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one
SMILESCOc1ccc(/C=C2\N=C(c3cccnc3)N(c3ccccc3)NC2=O)cc1
InChIInChI=1S/C22H18N4O2/c1-28-19-11-9-16(10-12-19)14-20-22(27)25-26(18-7-3-2-4-8-18)21(24-20)17-6-5-13-23-15-17/h2-15H,1H3,(H,25,27)/b20-14-
InChIKeyBNAKUNINWOCARC-ZHZULCJRSA-N
XLogP3.43
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(Cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 134307820
5,5-Bis-(4-methoxy-phenyl)-penta-2,4-dienoic acid (4-pyridin-3-yl-phenyl)-amide
CID 14347434
5,5-Bis-(4-methoxy-phenyl)-penta-2,4-dienoic acid (4-pyridin-3-ylmethyl-phenyl)-amide
CID 14347435
5,6-Bis(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one
CID 18369305
5,6-Bis(4-methoxyphenyl)-2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 18369432
(Z)-3-(4-methoxyphenyl)-4-(2-(pyridin-3-yl)hydrazono)-1H-pyrazol-5(4H)-one
CID 135685787
5-(4-Hydroxybenzylidene)-2-phenyl-3-(pyridin-3-yl)-1,2-dihydro-1,2,4-triazin-6(5H)-one (IVc)
CID 126963298
5-(4-Methoxybenzylidene)-2-phenyl-3-(pyridin-3-yl)-1,2-dihydro-1,2,4-triazin-6(5H)-one (IVd)
CID 126963299
5-(2-Hydroxybenzylidene)-2-phenyl-3-(pyridin-3-yl)-1,2-dihydro-1,2,4-triazin-6(5H)-one (IVf)
CID 126963301
5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-{[(4-pyridinylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
CID 2910634
2-imino-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3709566
6-Imino-7-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-N-[(pyridin-3-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0,3,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 4617997

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one (CID 155809809) is (5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one is COc1ccc(/C=C2\N=C(c3cccnc3)N(c3ccccc3)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one?
The InChIKey is BNAKUNINWOCARC-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-19-11-9-16(10-12-19)14-20-22(27)25-26(18-7-3-2-4-8-18)21(24-20)17-6-5-13-23-15-17/h2-15H,1H3,(H,25,27)/b20-14-.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one?
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one has a molecular weight of 370.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 155809809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).