6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one

C17H16N4O2 — CID 135454577

IUPAC6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one
SMILESCc1nnc(Nc2ccc(OCc3ccccc3)cc2)[nH]c1=O
InChIInChI=1S/C17H16N4O2/c1-12-16(22)19-17(21-20-12)18-14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,18,19,21,22)
InChIKeyMZRFRSKZWXTOIN-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.80
Rot. Bonds5

About 6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one

6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one (PubChem CID 135454577) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one
PubChem CID135454577
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one
SMILESCc1nnc(Nc2ccc(OCc3ccccc3)cc2)[nH]c1=O
InChIInChI=1S/C17H16N4O2/c1-12-16(22)19-17(21-20-12)18-14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,18,19,21,22)
InChIKeyMZRFRSKZWXTOIN-UHFFFAOYSA-N
XLogP2.80
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-3-[(2E)-2-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136733222
3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135432564
methyl 4-[[4-[(Z)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 135719914
3-(4-anilinoanilino)-6-benzyl-4H-1,2,4-triazin-5-one
CID 135594235
3-[(2E)-2-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 136733363
2-[4-(4-phenylmethoxyanilino)phenyl]acetaldehyde
CID 118960659
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate
CID 113049917
N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113049923
3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-6-methyl-4H-1,2,4-triazin-5-one
CID 136683245
N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide
CID 112988919
N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide
CID 135713561

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one (CID 135454577) is 6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one is Cc1nnc(Nc2ccc(OCc3ccccc3)cc2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one?
The InChIKey is MZRFRSKZWXTOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-16(22)19-17(21-20-12)18-14-7-9-15(10-8-14)23-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,18,19,21,22).
What are the key properties of 6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one?
6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one has a molecular weight of 308.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-phenylmethoxyanilino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135454577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).