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

C15H19N5O — CID 135475538

IUPAC6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCCCC/C(=N/Nc1nnc(C)c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C15H19N5O/c1-3-4-10-13(12-8-6-5-7-9-12)18-20-15-16-14(21)11(2)17-19-15/h5-9H,3-4,10H2,1-2H3,(H2,16,19,20,21)/b18-13-
InChIKeyGOGVHKPMDDBQDD-AQTBWJFISA-N
MW285.35 g/mol
LogP2.48
Rot. Bonds6

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

6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135475538) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135475538
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCCCC/C(=N/Nc1nnc(C)c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C15H19N5O/c1-3-4-10-13(12-8-6-5-7-9-12)18-20-15-16-14(21)11(2)17-19-15/h5-9H,3-4,10H2,1-2H3,(H2,16,19,20,21)/b18-13-
InChIKeyGOGVHKPMDDBQDD-AQTBWJFISA-N
XLogP2.48
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.48
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-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135541586
2-[(2E)-2-(1,3-diphenylpropylidene)hydrazinyl]-4-methyl-5-propyl-1H-pyrimidin-6-one
CID 135858151
(2E)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]butanoic acid
CID 135773671
N-(1-phenylpentylideneamino)octanamide
CID 4676930
6-methyl-3-[2-(1-pyridin-4-ylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135531949
3-[(2Z)-2-[1-(3-ethyl-1-benzofuran-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784900
6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one
CID 135763969
methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
CID 127261696
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
3-(4-butylanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135413095
1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea
CID 6391805
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135475538) is 6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is CCCC/C(=N/Nc1nnc(C)c(=O)[nH]1)c1ccccc1.
What is the InChIKey of 6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is GOGVHKPMDDBQDD-AQTBWJFISA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-4-10-13(12-8-6-5-7-9-12)18-20-15-16-14(21)11(2)17-19-15/h5-9H,3-4,10H2,1-2H3,(H2,16,19,20,21)/b18-13-.
What are the key properties of 6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 285.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(2Z)-2-(1-phenylpentylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135475538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).