4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one

C21H16N4O2 — CID 1202494

IUPAC4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccccc2)c(=O)n1N=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C21H16N4O2/c1-14-23-24-20(16-8-3-2-4-9-16)21(27)25(14)22-13-18-17-10-6-5-7-15(17)11-12-19(18)26/h2-13,26H,1H3
InChIKeyXYHVQMMOVKMGEY-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.35
Rot. Bonds3

About 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one

4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one (PubChem CID 1202494) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one
PubChem CID1202494
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccccc2)c(=O)n1N=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C21H16N4O2/c1-14-23-24-20(16-8-3-2-4-9-16)21(27)25(14)22-13-18-17-10-6-5-7-15(17)11-12-19(18)26/h2-13,26H,1H3
InChIKeyXYHVQMMOVKMGEY-UHFFFAOYSA-N
XLogP3.35
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one
CID 135885808
1-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol
CID 135771174
4-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 136673038
3-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
CID 136736825
3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 135601105
3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one
CID 137047003
6-tert-butyl-8-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
CID 135631931
3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one
CID 34883174
1-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 2848301
3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
CID 5423325
4-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 135651692
3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one
CID 135650599

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one?
The IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one (CID 1202494) is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one is Cc1nnc(-c2ccccc2)c(=O)n1N=Cc1c(O)ccc2ccccc12.
What is the InChIKey of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one?
The InChIKey is XYHVQMMOVKMGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-14-23-24-20(16-8-3-2-4-9-16)21(27)25(14)22-13-18-17-10-6-5-7-15(17)11-12-19(18)26/h2-13,26H,1H3.
What are the key properties of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one?
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one has a molecular weight of 356.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one is sourced from PubChem (CID 1202494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).