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

C11H13N5O — CID 753529

IUPAC4-amino-6-methyl-3-(3-methylanilino)-1,2,4-triazin-5-one
SMILESCc1cccc(Nc2nnc(C)c(=O)n2N)c1
InChIInChI=1S/C11H13N5O/c1-7-4-3-5-9(6-7)13-11-15-14-8(2)10(17)16(11)12/h3-6H,12H2,1-2H3,(H,13,15)
InChIKeyNETMGMDUJJBWIR-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.71
Rot. Bonds2

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

4-amino-6-methyl-3-(3-methylanilino)-1,2,4-triazin-5-one (PubChem CID 753529) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-amino-6-methyl-3-(3-methylanilino)-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-methyl-3-(3-methylanilino)-1,2,4-triazin-5-one
PubChem CID753529
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-amino-6-methyl-3-(3-methylanilino)-1,2,4-triazin-5-one
SMILESCc1cccc(Nc2nnc(C)c(=O)n2N)c1
InChIInChI=1S/C11H13N5O/c1-7-4-3-5-9(6-7)13-11-15-14-8(2)10(17)16(11)12/h3-6H,12H2,1-2H3,(H,13,15)
InChIKeyNETMGMDUJJBWIR-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

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
4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one
CID 737018
2-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(m-tolyl)acetamide
CID 7196635
1-(3-methylphenyl)-3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea
CID 70693924
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
N-(6-methyl-4-oxo-1,4-dihydro-2-pyrimidinyl)-N''-(3-methylphenyl)guanidine
CID 135433339
4-Amino-6-tert-butyl-3-(4-methylanilino)-1,2,4-triazin-5-one
CID 4354153
6-(4-fluorobenzyl)-3-(m-tolylamino)-1,2,4-triazin-5(4H)-one
CID 135560970
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine
CID 135506314
3-((2-Ethylphenyl)amino)-1,2,4-triazin-5(2H)-one
CID 135445437

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-3-(3-methylanilino)-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-methyl-3-(3-methylanilino)-1,2,4-triazin-5-one (CID 753529) is 4-amino-6-methyl-3-(3-methylanilino)-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-methyl-3-(3-methylanilino)-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-methyl-3-(3-methylanilino)-1,2,4-triazin-5-one is Cc1cccc(Nc2nnc(C)c(=O)n2N)c1.
What is the InChIKey of 4-amino-6-methyl-3-(3-methylanilino)-1,2,4-triazin-5-one?
The InChIKey is NETMGMDUJJBWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-4-3-5-9(6-7)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-(3-methylanilino)-1,2,4-triazin-5-one?
4-amino-6-methyl-3-(3-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-(3-methylanilino)-1,2,4-triazin-5-one is sourced from PubChem (CID 753529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).