6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one

C19H19ClN4O — CID 135618720

IUPAC6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one
SMILESCc1cc(C)c(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)c(C)c1
InChIInChI=1S/C19H19ClN4O/c1-11-8-12(2)17(13(3)9-11)21-19-22-18(25)16(23-24-19)10-14-4-6-15(20)7-5-14/h4-9H,10H2,1-3H3,(H2,21,22,24,25)
InChIKeyMUUMXYSDAHNUGQ-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.08
Rot. Bonds4

About 6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one

6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one (PubChem CID 135618720) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one
PubChem CID135618720
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one
SMILESCc1cc(C)c(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)c(C)c1
InChIInChI=1S/C19H19ClN4O/c1-11-8-12(2)17(13(3)9-11)21-19-22-18(25)16(23-24-19)10-14-4-6-15(20)7-5-14/h4-9H,10H2,1-3H3,(H2,21,22,24,25)
InChIKeyMUUMXYSDAHNUGQ-UHFFFAOYSA-N
XLogP4.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(furan-2-ylmethyl)-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one
CID 135681439
3-(3,4-dimethylanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561027
3-(3-chloro-4-methylanilino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561047
3-[2-(4-chlorophenyl)ethylamino]-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 136683773
3-(3,4-dimethoxyanilino)-6-[(4-methylphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561081
6-benzyl-3-(5-chloro-2-methoxyanilino)-4H-1,2,4-triazin-5-one
CID 135561041
N-[4-[[6-[(4-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 135561138
6-[(4-methylphenyl)methyl]-3-(4-nitroanilino)-4H-1,2,4-triazin-5-one
CID 135561155
3-(4-chloro-2,5-dimethoxyanilino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one
CID 136778560
methyl 4-[[6-[(4-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]amino]benzoate
CID 135561064
2-chloro-N'-[6-[(4-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]benzohydrazide
CID 135552000
3-(3-hydroxyanilino)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 136779562

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one (CID 135618720) is 6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one is Cc1cc(C)c(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)c(C)c1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one?
The InChIKey is MUUMXYSDAHNUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-11-8-12(2)17(13(3)9-11)21-19-22-18(25)16(23-24-19)10-14-4-6-15(20)7-5-14/h4-9H,10H2,1-3H3,(H2,21,22,24,25).
What are the key properties of 6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one?
6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one has a molecular weight of 354.84 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135618720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).