(5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one

C20H15N5O — CID 126963302

IUPAC(5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one
SMILESO=C1NN(c2ccccc2)C(c2cccnc2)=N/C1=C/c1cccnc1
InChIInChI=1S/C20H15N5O/c26-20-18(12-15-6-4-10-21-13-15)23-19(16-7-5-11-22-14-16)25(24-20)17-8-2-1-3-9-17/h1-14H,(H,24,26)/b18-12+
InChIKeyIJIBGBCHDYJAES-LDADJPATSA-N
MW341.37 g/mol
LogP2.82
Rot. Bonds3

About (5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one

(5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one (PubChem CID 126963302) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is (5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name(5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one
PubChem CID126963302
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name(5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one
SMILESO=C1NN(c2ccccc2)C(c2cccnc2)=N/C1=C/c1cccnc1
InChIInChI=1S/C20H15N5O/c26-20-18(12-15-6-4-10-21-13-15)23-19(16-7-5-11-22-14-16)25(24-20)17-8-2-1-3-9-17/h1-14H,(H,24,26)/b18-12+
InChIKeyIJIBGBCHDYJAES-LDADJPATSA-N
XLogP2.82
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.82
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'}

Analyze (5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one 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

5-methyl-2-phenyl-3-piperidin-1-yl-6-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134347305
5-Benzylidene-2-phenyl-3-(pyridin-3-yl)-1,2-dihydro-1,2,4-triazin-6(5H)-one (IVa)
CID 126963296
5-(4-Chlorobenzylidene)-2-phenyl-3-(pyridin-3-yl)-1,2-dihydro-1,2,4-triazin-6(5H)-one (IVb)
CID 126963297
5-(4-(Dimethylamino) benzylidene)-2-phenyl-3-(pyridin-3-yl)-1,2-dihydro-1,2,4-triazin-6(5H)-one (IVe)
CID 126963300
N-benzyl-7-oxo-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16734329
Pyrido(3,4-e)-1,2,4-triazine, 1,2-dihydro-1-(1-oxopropyl)-3-phenyl-
CID 3059459
Pyrido(3,4-e)-1,2,4-triazine, 1,2-dihydro-1-acetyl-3-phenyl-
CID 3059461
5-methyl-2-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 164624844
N'-phenyl-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
CID 12499592
6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 39890270
6-[(4-phenylpiperazino)methyl]-2-(3-pyridyl)-4(3H)-pyrimidinone
CID 136087971
2-methyl-3-phenyl-5-(3-pyridyl)-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98076177

Frequently Asked Questions

What is the IUPAC name of (5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one?
The IUPAC name of (5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one (CID 126963302) is (5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one.
What is the SMILES notation for (5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one?
The canonical SMILES for (5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one is O=C1NN(c2ccccc2)C(c2cccnc2)=N/C1=C/c1cccnc1.
What is the InChIKey of (5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one?
The InChIKey is IJIBGBCHDYJAES-LDADJPATSA-N. The full InChI is InChI=1S/C20H15N5O/c26-20-18(12-15-6-4-10-21-13-15)23-19(16-7-5-11-22-14-16)25(24-20)17-8-2-1-3-9-17/h1-14H,(H,24,26)/b18-12+.
What are the key properties of (5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one?
(5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one has a molecular weight of 341.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-phenyl-3-pyridin-3-yl-5-(pyridin-3-ylmethylidene)-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 126963302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).