4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one

C11H13N5O — CID 2198241

IUPAC4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one
SMILESCc1ccccc1Nc1nnc(C)c(=O)n1N
InChIInChI=1S/C11H13N5O/c1-7-5-3-4-6-9(7)13-11-15-14-8(2)10(17)16(11)12/h3-6H,12H2,1-2H3,(H,13,15)
InChIKeyNLKMRAJQDCTBBP-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.71
Rot. Bonds2

About 4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one

4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one (PubChem CID 2198241) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one
PubChem CID2198241
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one
SMILESCc1ccccc1Nc1nnc(C)c(=O)n1N
InChIInChI=1S/C11H13N5O/c1-7-5-3-4-6-9(7)13-11-15-14-8(2)10(17)16(11)12/h3-6H,12H2,1-2H3,(H,13,15)
InChIKeyNLKMRAJQDCTBBP-UHFFFAOYSA-N
XLogP0.71
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-[(2-methylphenyl)amino]pyrimidin-4(3H)-one
CID 135454332
6-methyl-3-[(2-methylphenyl)amino]-1,2,4-triazin-5(4H)-one
CID 135412275
4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one
CID 737018
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
6-Methyl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-5-ol
CID 135452294
4-Amino-6-methyl-3-m-tolylamino-4H-[1,2,4]triazin-5-one
CID 753529
4-Amino-6-tert-butyl-3-(4-methylanilino)-1,2,4-triazin-5-one
CID 4354153
3-((2-Ethylphenyl)amino)-1,2,4-triazin-5(2H)-one
CID 135445437
6-methyl-3-(phenylamino)-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5(1H)-one
CID 46299023
6-Methyl-3-[(3-methylphenyl)amino]-1,2,4-triazin-5-ol
CID 135412276
6-(Tert-butyl)-3-[(2,4-dimethylphenyl)amino]-1,2,4-triazin-5-ol
CID 135439171

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one (CID 2198241) is 4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one is Cc1ccccc1Nc1nnc(C)c(=O)n1N.
What is the InChIKey of 4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one?
The InChIKey is NLKMRAJQDCTBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-5-3-4-6-9(7)13-11-15-14-8(2)10(17)16(11)12/h3-6H,12H2,1-2H3,(H,13,15).
What are the key properties of 4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one?
4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one has a molecular weight of 231.26 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-3-(2-methylanilino)-1,2,4-triazin-5-one is sourced from PubChem (CID 2198241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).