6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

C14H21N5O — CID 135879346

IUPAC6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
SMILESCC(C)(C)c1nn2c(C3CCCCC3)nnc2[nH]c1=O
InChIInChI=1S/C14H21N5O/c1-14(2,3)10-12(20)15-13-17-16-11(19(13)18-10)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,15,17,20)
InChIKeyBADQEYBYZCYKND-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.16
Rot. Bonds1

About 6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one (PubChem CID 135879346) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
PubChem CID135879346
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
SMILESCC(C)(C)c1nn2c(C3CCCCC3)nnc2[nH]c1=O
InChIInChI=1S/C14H21N5O/c1-14(2,3)10-12(20)15-13-17-16-11(19(13)18-10)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,15,17,20)
InChIKeyBADQEYBYZCYKND-UHFFFAOYSA-N
XLogP2.16
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one with MolForge

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Related Compounds

6-amino-3-(3,3-dimethylcyclohexyl)-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 139295570
6-Tert-butyl-3-cyclopropyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-ol
CID 136300138

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
The IUPAC name of 6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one (CID 135879346) is 6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one.
What is the SMILES notation for 6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
The canonical SMILES for 6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one is CC(C)(C)c1nn2c(C3CCCCC3)nnc2[nH]c1=O.
What is the InChIKey of 6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
The InChIKey is BADQEYBYZCYKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,3)10-12(20)15-13-17-16-11(19(13)18-10)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,15,17,20).
What are the key properties of 6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one?
6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one has a molecular weight of 275.36 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-cyclohexyl-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one is sourced from PubChem (CID 135879346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).