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

C15H20N4O — CID 135439171

IUPAC6-tert-butyl-3-(2,4-dimethylanilino)-4H-1,2,4-triazin-5-one
SMILESCc1ccc(Nc2nnc(C(C)(C)C)c(=O)[nH]2)c(C)c1
InChIInChI=1S/C15H20N4O/c1-9-6-7-11(10(2)8-9)16-14-17-13(20)12(18-19-14)15(3,4)5/h6-8H,1-5H3,(H2,16,17,19,20)
InChIKeyKVTAZYJCOPOLPV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.82
Rot. Bonds2

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

6-tert-butyl-3-(2,4-dimethylanilino)-4H-1,2,4-triazin-5-one (PubChem CID 135439171) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-tert-butyl-3-(2,4-dimethylanilino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-tert-butyl-3-(2,4-dimethylanilino)-4H-1,2,4-triazin-5-one
PubChem CID135439171
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-tert-butyl-3-(2,4-dimethylanilino)-4H-1,2,4-triazin-5-one
SMILESCc1ccc(Nc2nnc(C(C)(C)C)c(=O)[nH]2)c(C)c1
InChIInChI=1S/C15H20N4O/c1-9-6-7-11(10(2)8-9)16-14-17-13(20)12(18-19-14)15(3,4)5/h6-8H,1-5H3,(H2,16,17,19,20)
InChIKeyKVTAZYJCOPOLPV-UHFFFAOYSA-N
XLogP2.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-6-methyl-3-o-tolylamino-4H-[1,2,4]triazin-5-one
CID 2198241
6-methyl-3-[(2-methylphenyl)amino]-1,2,4-triazin-5(4H)-one
CID 135412275
2-Amino-5-ethyl-6-(o-tolylamino)pyrimidin-4(1H)-one
CID 135408562
6-Methyl-3-[(4-methylphenyl)amino]-1,2,4-triazin-5-ol
CID 135412453
1-(2,4-Dimethylphenyl)-3-(4-oxo-1,4,5,6,7,8-hexahydroquinazolin-2-yl)guanidine
CID 135473417
Urea, N-(2,4-dimethylphenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride
CID 3050658
4-Amino-6-tert-butyl-3-(4-methylanilino)-1,2,4-triazin-5-one
CID 4354153
3-((Amino(imino)methyl)hydrazono)-N-(2,4-dimethylphenyl)butanamide
CID 9571299
6-(Tert-butyl)-3-[(3-fluorophenyl)amino]-1,2,4-triazin-5-ol
CID 135468316
N-(2,4-dimethylphenyl)-N'-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)guanidine
CID 135481551
1-(2,4-dimethylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)guanidine
CID 135435335
3-((2-Ethylphenyl)amino)-1,2,4-triazin-5(2H)-one
CID 135445437

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(2,4-dimethylanilino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-tert-butyl-3-(2,4-dimethylanilino)-4H-1,2,4-triazin-5-one (CID 135439171) is 6-tert-butyl-3-(2,4-dimethylanilino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-tert-butyl-3-(2,4-dimethylanilino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-tert-butyl-3-(2,4-dimethylanilino)-4H-1,2,4-triazin-5-one is Cc1ccc(Nc2nnc(C(C)(C)C)c(=O)[nH]2)c(C)c1.
What is the InChIKey of 6-tert-butyl-3-(2,4-dimethylanilino)-4H-1,2,4-triazin-5-one?
The InChIKey is KVTAZYJCOPOLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9-6-7-11(10(2)8-9)16-14-17-13(20)12(18-19-14)15(3,4)5/h6-8H,1-5H3,(H2,16,17,19,20).
What are the key properties of 6-tert-butyl-3-(2,4-dimethylanilino)-4H-1,2,4-triazin-5-one?
6-tert-butyl-3-(2,4-dimethylanilino)-4H-1,2,4-triazin-5-one has a molecular weight of 272.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(2,4-dimethylanilino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135439171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).