7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C17H24N4O2 — CID 121273233

IUPAC7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESO=c1c2nnc(C3CCOCC3)n2ccn1CC1CCCCC1
InChIInChI=1S/C17H24N4O2/c22-17-16-19-18-15(14-6-10-23-11-7-14)21(16)9-8-20(17)12-13-4-2-1-3-5-13/h8-9,13-14H,1-7,10-12H2
InChIKeyQXXSLJZGWQRCPJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.37
Rot. Bonds3

About 7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one

7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 121273233) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID121273233
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESO=c1c2nnc(C3CCOCC3)n2ccn1CC1CCCCC1
InChIInChI=1S/C17H24N4O2/c22-17-16-19-18-15(14-6-10-23-11-7-14)21(16)9-8-20(17)12-13-4-2-1-3-5-13/h8-9,13-14H,1-7,10-12H2
InChIKeyQXXSLJZGWQRCPJ-UHFFFAOYSA-N
XLogP2.37
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 121273233) is 7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one is O=c1c2nnc(C3CCOCC3)n2ccn1CC1CCCCC1.
What is the InChIKey of 7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is QXXSLJZGWQRCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-17-16-19-18-15(14-6-10-23-11-7-14)21(16)9-8-20(17)12-13-4-2-1-3-5-13/h8-9,13-14H,1-7,10-12H2.
What are the key properties of 7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 316.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 121273233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).