3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one

C11H10N6O — CID 46299023

IUPAC3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one
SMILESCc1nnc2[nH]nc(Nc3ccccc3)n2c1=O
InChIInChI=1S/C11H10N6O/c1-7-9(18)17-10(14-16-11(17)15-13-7)12-8-5-3-2-4-6-8/h2-6H,1H3,(H,12,14)(H,15,16)
InChIKeyUEQCXEAGMSUYQY-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.86
Rot. Bonds2

About 3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one

3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one (PubChem CID 46299023) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one.

Molecular Properties

Compound Name3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one
PubChem CID46299023
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one
SMILESCc1nnc2[nH]nc(Nc3ccccc3)n2c1=O
InChIInChI=1S/C11H10N6O/c1-7-9(18)17-10(14-16-11(17)15-13-7)12-8-5-3-2-4-6-8/h2-6H,1H3,(H,12,14)(H,15,16)
InChIKeyUEQCXEAGMSUYQY-UHFFFAOYSA-N
XLogP0.86
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Phenylamino)-1,2,4-triazin-5-ol
CID 135439726
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
6-Methyl-3-[(4-methylphenyl)amino]-1,2,4-triazin-5-ol
CID 135412453
3-{[4-(Dimethylamino)phenyl]amino}-1,2,4-triazin-5-ol
CID 135652640
5-methyl-2-(phenylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
CID 14547529
4-Amino-6-methyl-3-m-tolylamino-4H-[1,2,4]triazin-5-one
CID 753529
6-(Tert-butyl)-3-[(3-fluorophenyl)amino]-1,2,4-triazin-5-ol
CID 135468316
7-methyl-3-(phenylamino)-[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
CID 2148143
6-Methyl-3-[(3-methylphenyl)amino]-1,2,4-triazin-5-ol
CID 135412276
6-methyl-3-[(4-piperidylphenyl)amino]-4H-1,2,4-triazin-5-one
CID 135454579

Frequently Asked Questions

What is the IUPAC name of 3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one?
The IUPAC name of 3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one (CID 46299023) is 3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one.
What is the SMILES notation for 3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one?
The canonical SMILES for 3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one is Cc1nnc2[nH]nc(Nc3ccccc3)n2c1=O.
What is the InChIKey of 3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one?
The InChIKey is UEQCXEAGMSUYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-7-9(18)17-10(14-16-11(17)15-13-7)12-8-5-3-2-4-6-8/h2-6H,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one?
3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one has a molecular weight of 242.24 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-6-methyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one is sourced from PubChem (CID 46299023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).