6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one

C11H14F2N6O — CID 139295820

IUPAC6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESCC1CCC(F)(F)CC1c1nnc2c(=O)[nH]c(N)nn12
InChIInChI=1S/C11H14F2N6O/c1-5-2-3-11(12,13)4-6(5)7-16-17-8-9(20)15-10(14)18-19(7)8/h5-6H,2-4H2,1H3,(H3,14,15,18,20)
InChIKeyGEMIQGPVOIPSAG-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.93
Rot. Bonds1

About 6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one

6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (PubChem CID 139295820) has the molecular formula C11H14F2N6O and a molecular weight of 284.27 g/mol. Its IUPAC name is 6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.

Molecular Properties

Compound Name6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
PubChem CID139295820
Molecular FormulaC11H14F2N6O
Molecular Weight284.27 g/mol
Exact Mass284.12
IUPAC Name6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESCC1CCC(F)(F)CC1c1nnc2c(=O)[nH]c(N)nn12
InChIInChI=1S/C11H14F2N6O/c1-5-2-3-11(12,13)4-6(5)7-16-17-8-9(20)15-10(14)18-19(7)8/h5-6H,2-4H2,1H3,(H3,14,15,18,20)
InChIKeyGEMIQGPVOIPSAG-UHFFFAOYSA-N
XLogP0.93
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(3,3-difluorocyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 139296120
5-[(4,4-Difluorocyclohexyl)methyl]-2-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 175395411
2-(3,3-Difluorobutyl)-5-[(4,4-difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide
CID 175397158
5-[(4,4-Difluorocyclohexyl)methyl]-2-ethyl-1,2,4-triazole-3-carboxamide
CID 175397162
5-[(4,4-Difluorocyclohexyl)methyl]-2-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175397192
5-[(4,4-Difluorocyclohexyl)methyl]-2-(2,2-difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175397358
5-[(4,4-Difluorocyclohexyl)methyl]-2-(3-fluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175397414
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-(3-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 139295601

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The IUPAC name of 6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (CID 139295820) is 6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.
What is the SMILES notation for 6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The canonical SMILES for 6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is CC1CCC(F)(F)CC1c1nnc2c(=O)[nH]c(N)nn12.
What is the InChIKey of 6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The InChIKey is GEMIQGPVOIPSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N6O/c1-5-2-3-11(12,13)4-6(5)7-16-17-8-9(20)15-10(14)18-19(7)8/h5-6H,2-4H2,1H3,(H3,14,15,18,20).
What are the key properties of 6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one has a molecular weight of 284.27 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(5,5-difluoro-2-methylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is sourced from PubChem (CID 139295820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).