6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one

C5H6N6O — CID 135697275

IUPAC6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESCc1nnc2c(=O)[nH]c(N)nn12
InChIInChI=1S/C5H6N6O/c1-2-8-9-3-4(12)7-5(6)10-11(2)3/h1H3,(H3,6,7,10,12)
InChIKeyLWCUUCLCXZUORJ-UHFFFAOYSA-N
MW166.14 g/mol
LogP-1.30
Rot. Bonds

About 6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one

6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (PubChem CID 135697275) has the molecular formula C5H6N6O and a molecular weight of 166.14 g/mol. Its IUPAC name is 6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.

Molecular Properties

Compound Name6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
PubChem CID135697275
Molecular FormulaC5H6N6O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESCc1nnc2c(=O)[nH]c(N)nn12
InChIInChI=1S/C5H6N6O/c1-2-8-9-3-4(12)7-5(6)10-11(2)3/h1H3,(H3,6,7,10,12)
InChIKeyLWCUUCLCXZUORJ-UHFFFAOYSA-N
XLogP-1.30
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Amino-3-ethyl-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7h)-one
CID 135697276
3-Methyl-1H-1,2,4-triazole-5-carboxamide
CID 12220108
1,5-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 45084121
1,3-Dimethyl-1 H-1,2,4-triazole-5-carboxamide
CID 135289779
6-amino-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 135697273
N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 20591092
N-(diaminomethylidene)-4,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 20591094
4,5-Dimethyl-1,2,4-triazole-3-carboxamide
CID 83385566
methane;5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 160289270
6-amino-2-methyl-7H-[1,2,4]triazolo[1,5-a]pyrazin-8-one
CID 166127196
3-Amino-1,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
CID 14270043
N-cyano-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 80368133

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The IUPAC name of 6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (CID 135697275) is 6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.
What is the SMILES notation for 6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The canonical SMILES for 6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is Cc1nnc2c(=O)[nH]c(N)nn12.
What is the InChIKey of 6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The InChIKey is LWCUUCLCXZUORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O/c1-2-8-9-3-4(12)7-5(6)10-11(2)3/h1H3,(H3,6,7,10,12).
What are the key properties of 6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one has a molecular weight of 166.14 g/mol, XLogP of -1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is sourced from PubChem (CID 135697275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).