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

C24H20N4O2 — CID 34883174

IUPAC3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccccc2)c(=O)n1/N=C\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H20N4O2/c1-18-26-27-23(21-10-6-3-7-11-21)24(29)28(18)25-16-19-12-14-22(15-13-19)30-17-20-8-4-2-5-9-20/h2-16H,17H2,1H3/b25-16-
InChIKeyOTDDCVYWGWKXSM-XYGWBWBKSA-N
MW396.45 g/mol
LogP4.07
Rot. Bonds6

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

3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one (PubChem CID 34883174) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one
PubChem CID34883174
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccccc2)c(=O)n1/N=C\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H20N4O2/c1-18-26-27-23(21-10-6-3-7-11-21)24(29)28(18)25-16-19-12-14-22(15-13-19)30-17-20-8-4-2-5-9-20/h2-16H,17H2,1H3/b25-16-
InChIKeyOTDDCVYWGWKXSM-XYGWBWBKSA-N
XLogP4.07
TPSA69.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine
CID 4283687
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one
CID 1202494
4-[(E)-benzylideneamino]-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one
CID 13153535
(E)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(4-phenylmethoxyphenyl)methanimine
CID 19586842
4-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methyl-6-phenyl-1,2,4-triazin-5-one
CID 135885808
2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one
CID 9239429
3-(2-methylphenyl)-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 6135008
2-phenyl-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 71566728
3-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 5209778
4-[(4-phenylmethoxyphenyl)methylideneamino]-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 1400914
3-naphthalen-1-yl-4-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 162675584
3-[[4-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126411172

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one?
The IUPAC name of 3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one (CID 34883174) is 3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one.
What is the SMILES notation for 3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one?
The canonical SMILES for 3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one is Cc1nnc(-c2ccccc2)c(=O)n1/N=C\c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one?
The InChIKey is OTDDCVYWGWKXSM-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-18-26-27-23(21-10-6-3-7-11-21)24(29)28(18)25-16-19-12-14-22(15-13-19)30-17-20-8-4-2-5-9-20/h2-16H,17H2,1H3/b25-16-.
What are the key properties of 3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one?
3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one has a molecular weight of 396.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-4-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,2,4-triazin-5-one is sourced from PubChem (CID 34883174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).