6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one

C12H13N5O — CID 135541586

IUPAC6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCC(=NNc1nnc(C)c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C12H13N5O/c1-8(10-6-4-3-5-7-10)14-16-12-13-11(18)9(2)15-17-12/h3-7H,1-2H3,(H2,13,16,17,18)
InChIKeyGDHSILRQLDZEFD-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.31
Rot. Bonds3

About 6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one

6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135541586) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135541586
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCC(=NNc1nnc(C)c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C12H13N5O/c1-8(10-6-4-3-5-7-10)14-16-12-13-11(18)9(2)15-17-12/h3-7H,1-2H3,(H2,13,16,17,18)
InChIKeyGDHSILRQLDZEFD-UHFFFAOYSA-N
XLogP1.31
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-3-[2-(1-pyridin-4-ylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135531949
3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784985
6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135475538
6-methyl-3-[(2Z)-2-[1-(4-morpholin-4-ylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135847871
3-[(2Z)-2-[1-(1,3-benzothiazol-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135739408
3-[(2Z)-2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135847872
6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135785050
3-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784964
3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784900
6-tert-butyl-3-[2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135524398
3-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135478995
3-[(2Z)-2-[1-(2,4-dichloro-5-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784793

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135541586) is 6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is CC(=NNc1nnc(C)c(=O)[nH]1)c1ccccc1.
What is the InChIKey of 6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is GDHSILRQLDZEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8(10-6-4-3-5-7-10)14-16-12-13-11(18)9(2)15-17-12/h3-7H,1-2H3,(H2,13,16,17,18).
What are the key properties of 6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 243.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135541586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).