2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one

C10H14N6O — CID 136824656

IUPAC2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
SMILESNc1nc2nc(C3CCCCC3)[nH]c(=O)n2n1
InChIInChI=1S/C10H14N6O/c11-8-14-9-12-7(6-4-2-1-3-5-6)13-10(17)16(9)15-8/h6H,1-5H2,(H3,11,12,13,14,15,17)
InChIKeyARLAVWLTCQCDBV-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.44
Rot. Bonds1

About 2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one

2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one (PubChem CID 136824656) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one.

Molecular Properties

Compound Name2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
PubChem CID136824656
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
SMILESNc1nc2nc(C3CCCCC3)[nH]c(=O)n2n1
InChIInChI=1S/C10H14N6O/c11-8-14-9-12-7(6-4-2-1-3-5-6)13-10(17)16(9)15-8/h6H,1-5H2,(H3,11,12,13,14,15,17)
InChIKeyARLAVWLTCQCDBV-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The IUPAC name of 2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one (CID 136824656) is 2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one.
What is the SMILES notation for 2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The canonical SMILES for 2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one is Nc1nc2nc(C3CCCCC3)[nH]c(=O)n2n1.
What is the InChIKey of 2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
The InChIKey is ARLAVWLTCQCDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c11-8-14-9-12-7(6-4-2-1-3-5-6)13-10(17)16(9)15-8/h6H,1-5H2,(H3,11,12,13,14,15,17).
What are the key properties of 2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one?
2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-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 2-amino-5-cyclohexyl-6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one is sourced from PubChem (CID 136824656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).