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

C10H14N6O — CID 138684470

IUPAC6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESNc1nn2c(C3CCCCC3)nnc2c(=O)[nH]1
InChIInChI=1S/C10H14N6O/c11-10-12-9(17)8-14-13-7(16(8)15-10)6-4-2-1-3-5-6/h6H,1-5H2,(H3,11,12,15,17)
InChIKeyRTLYGGUTHYNLEZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.44
Rot. Bonds1

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

6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (PubChem CID 138684470) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.

Molecular Properties

Compound Name6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
PubChem CID138684470
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESNc1nn2c(C3CCCCC3)nnc2c(=O)[nH]1
InChIInChI=1S/C10H14N6O/c11-10-12-9(17)8-14-13-7(16(8)15-10)6-4-2-1-3-5-6/h6H,1-5H2,(H3,11,12,15,17)
InChIKeyRTLYGGUTHYNLEZ-UHFFFAOYSA-N
XLogP0.44
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

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
3-cyclopentyl-8-oxo-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazine-6-carbaldehyde
CID 136953487
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
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-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The IUPAC name of 6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (CID 138684470) is 6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.
What is the SMILES notation for 6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The canonical SMILES for 6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is Nc1nn2c(C3CCCCC3)nnc2c(=O)[nH]1.
What is the InChIKey of 6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The InChIKey is RTLYGGUTHYNLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c11-10-12-9(17)8-14-13-7(16(8)15-10)6-4-2-1-3-5-6/h6H,1-5H2,(H3,11,12,15,17).
What are the key properties of 6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one has a molecular weight of 234.26 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is sourced from PubChem (CID 138684470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).