2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one

C18H17FN4O2 — CID 134291759

IUPAC2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one
SMILESCOc1ccc(Nc2nc(=O)cnn2Cc2cccc(F)c2)c(C)c1
InChIInChI=1S/C18H17FN4O2/c1-12-8-15(25-2)6-7-16(12)21-18-22-17(24)10-20-23(18)11-13-4-3-5-14(19)9-13/h3-10H,11H2,1-2H3,(H,21,22,24)
InChIKeyUQMIMHGCUFKOPX-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.89
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one

2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one (PubChem CID 134291759) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one
PubChem CID134291759
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one
SMILESCOc1ccc(Nc2nc(=O)cnn2Cc2cccc(F)c2)c(C)c1
InChIInChI=1S/C18H17FN4O2/c1-12-8-15(25-2)6-7-16(12)21-18-22-17(24)10-20-23(18)11-13-4-3-5-14(19)9-13/h3-10H,11H2,1-2H3,(H,21,22,24)
InChIKeyUQMIMHGCUFKOPX-UHFFFAOYSA-N
XLogP2.89
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one
CID 134290575
2-[(4,5-difluorocyclohexa-1,3-dien-1-yl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one
CID 134291326
2-[(2,6-difluoro-4-pyridinyl)methyl]-3-(4,5-dimethoxy-2-methylanilino)-1,2,4-triazin-5-one
CID 142332058
3-(4-methoxy-2-methylanilino)-6-methyl-2-[(3,4,5-trifluorophenyl)methyl]-1,2,4-triazin-5-one
CID 134291795
3-(4-chloro-5-methoxy-2-methylanilino)-2-[(3,4,5-trifluorophenyl)methyl]-1,2,4-triazin-5-one
CID 134291302
3-(4-methoxy-2-methylanilino)-5-oxo-2-[(3,4,5-trifluorophenyl)methyl]-1,2,4-triazine-6-carboxylic acid
CID 134291787
2-[(3,5-difluoro-4-methylphenyl)methyl]-3-(4,5-dimethoxy-2-methylanilino)-1,2,4-triazin-5-one;1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoro-2-(5-fluoro-2-methylanilino)pyrimidin-4-one;3-(4,5-dimethoxy-2-methylanilino)-2-[(3-fluoro-5-methylphenyl)methyl]-6-methyl-1,2,4-triazin-5-one;5-fluoro-2-(2-fluoro-5-methoxyanilino)-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one;5-fluoro-2-(3-fluoro-4-methoxy-2-methylanilino)-1-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-one
CID 159598238
1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoro-2-(4-methoxy-2-methylanilino)pyrimidin-4-one
CID 160805428
N-[(3-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53034360
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-methoxyquinazolin-4-amine
CID 141314754
4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one
CID 115576901
2-(4-methoxy-2-methylanilino)-4-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyrimidine-5-carboxamide
CID 134290906

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one (CID 134291759) is 2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one is COc1ccc(Nc2nc(=O)cnn2Cc2cccc(F)c2)c(C)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one?
The InChIKey is UQMIMHGCUFKOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-12-8-15(25-2)6-7-16(12)21-18-22-17(24)10-20-23(18)11-13-4-3-5-14(19)9-13/h3-10H,11H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one?
2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one has a molecular weight of 340.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one is sourced from PubChem (CID 134291759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).