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

C11H16N6O — CID 139295601

IUPAC6-amino-3-(3-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESCC1CCCC(c2nnc3c(=O)[nH]c(N)nn23)C1
InChIInChI=1S/C11H16N6O/c1-6-3-2-4-7(5-6)8-14-15-9-10(18)13-11(12)16-17(8)9/h6-7H,2-5H2,1H3,(H3,12,13,16,18)
InChIKeyCKBIJCNPPDTVLR-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.69
Rot. Bonds1

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

6-amino-3-(3-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (PubChem CID 139295601) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-amino-3-(3-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.

Molecular Properties

Compound Name6-amino-3-(3-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
PubChem CID139295601
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name6-amino-3-(3-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESCC1CCCC(c2nnc3c(=O)[nH]c(N)nn23)C1
InChIInChI=1S/C11H16N6O/c1-6-3-2-4-7(5-6)8-14-15-9-10(18)13-11(12)16-17(8)9/h6-7H,2-5H2,1H3,(H3,12,13,16,18)
InChIKeyCKBIJCNPPDTVLR-UHFFFAOYSA-N
XLogP0.69
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-amino-3-[3-(trifluoromethyl)cyclohexyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 139295573
6-amino-3-[2-methyl-5-(trifluoromethyl)cyclohexyl]-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 139295681
6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 139295820
6-amino-3-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 139296120
5-(cyclohexylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 134354245
6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 138684470
6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 139295570
6-amino-3-(2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 139296119
N-(1-methylcyclohexyl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 80386107
6-Amino-3-pentyl[1,2,4]triazolo[3,4-f][1,2,4]triazin-8(5H)-one
CID 135412666
6-amino-3-hexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 135516639

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The IUPAC name of 6-amino-3-(3-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (CID 139295601) is 6-amino-3-(3-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.
What is the SMILES notation for 6-amino-3-(3-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The canonical SMILES for 6-amino-3-(3-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is CC1CCCC(c2nnc3c(=O)[nH]c(N)nn23)C1.
What is the InChIKey of 6-amino-3-(3-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The InChIKey is CKBIJCNPPDTVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-6-3-2-4-7(5-6)8-14-15-9-10(18)13-11(12)16-17(8)9/h6-7H,2-5H2,1H3,(H3,12,13,16,18).
What are the key properties of 6-amino-3-(3-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
6-amino-3-(3-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one has a molecular weight of 248.29 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is sourced from PubChem (CID 139295601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).