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

C12H14N4O — CID 135449637

IUPAC3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1ccc(C)c(Nc2nnc(C)c(=O)[nH]2)c1
InChIInChI=1S/C12H14N4O/c1-7-4-5-8(2)10(6-7)13-12-14-11(17)9(3)15-16-12/h4-6H,1-3H3,(H2,13,14,16,17)
InChIKeyXKUMQMWLALPPEE-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.83
Rot. Bonds2

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

3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135449637) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135449637
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1ccc(C)c(Nc2nnc(C)c(=O)[nH]2)c1
InChIInChI=1S/C12H14N4O/c1-7-4-5-8(2)10(6-7)13-12-14-11(17)9(3)15-16-12/h4-6H,1-3H3,(H2,13,14,16,17)
InChIKeyXKUMQMWLALPPEE-UHFFFAOYSA-N
XLogP1.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135515938
3-(2,5-dichloroanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135514995
3-[2-chloro-5-(trifluoromethyl)anilino]-6-methyl-4H-1,2,4-triazin-5-one
CID 135561118
methyl 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzoate
CID 135760934
6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one
CID 135763969
N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide
CID 135713561
3-hydrazinyl-6-methyl-4H-1,2,4-triazin-5-one
CID 135408845
6-methyl-3-[2-(pyridin-4-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135435472
3-[2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135447264
3-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135590866
2-(2-hydroxy-5-methylanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611958
6-methyl-3-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135402301

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one (CID 135449637) is 3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one is Cc1ccc(C)c(Nc2nnc(C)c(=O)[nH]2)c1.
What is the InChIKey of 3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is XKUMQMWLALPPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-4-5-8(2)10(6-7)13-12-14-11(17)9(3)15-16-12/h4-6H,1-3H3,(H2,13,14,16,17).
What are the key properties of 3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one?
3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 230.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135449637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).