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

C12H18N6O — CID 139295570

IUPAC6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESCC1(C)CCCC(c2nnc3c(=O)[nH]c(N)nn23)C1
InChIInChI=1S/C12H18N6O/c1-12(2)5-3-4-7(6-12)8-15-16-9-10(19)14-11(13)17-18(8)9/h7H,3-6H2,1-2H3,(H3,13,14,17,19)
InChIKeyJGDAHVZOHJLCAP-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.08
Rot. Bonds1

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

6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (PubChem CID 139295570) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.

Molecular Properties

Compound Name6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
PubChem CID139295570
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
SMILESCC1(C)CCCC(c2nnc3c(=O)[nH]c(N)nn23)C1
InChIInChI=1S/C12H18N6O/c1-12(2)5-3-4-7(6-12)8-15-16-9-10(19)14-11(13)17-18(8)9/h7H,3-6H2,1-2H3,(H3,13,14,17,19)
InChIKeyJGDAHVZOHJLCAP-UHFFFAOYSA-N
XLogP1.08
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-3-(3,3-dimethylcyclohexyl)-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
6-amino-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 138684470
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
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
6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
CID 135879346

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The IUPAC name of 6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one (CID 139295570) is 6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one.
What is the SMILES notation for 6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The canonical SMILES for 6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is CC1(C)CCCC(c2nnc3c(=O)[nH]c(N)nn23)C1.
What is the InChIKey of 6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
The InChIKey is JGDAHVZOHJLCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-12(2)5-3-4-7(6-12)8-15-16-9-10(19)14-11(13)17-18(8)9/h7H,3-6H2,1-2H3,(H3,13,14,17,19).
What are the key properties of 6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one?
6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one has a molecular weight of 262.32 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one is sourced from PubChem (CID 139295570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).