7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one

C16H21N3O — CID 122652314

IUPAC7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one
SMILESO=c1c2cnc(C3CC3)n2ccn1CC1CCCCC1
InChIInChI=1S/C16H21N3O/c20-16-14-10-17-15(13-6-7-13)19(14)9-8-18(16)11-12-4-2-1-3-5-12/h8-10,12-13H,1-7,11H2
InChIKeyMVICHLUMJUWVOO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.95
Rot. Bonds3

About 7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one

7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one (PubChem CID 122652314) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one
PubChem CID122652314
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one
SMILESO=c1c2cnc(C3CC3)n2ccn1CC1CCCCC1
InChIInChI=1S/C16H21N3O/c20-16-14-10-17-15(13-6-7-13)19(14)9-8-18(16)11-12-4-2-1-3-5-12/h8-10,12-13H,1-7,11H2
InChIKeyMVICHLUMJUWVOO-UHFFFAOYSA-N
XLogP2.95
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one (CID 122652314) is 7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one is O=c1c2cnc(C3CC3)n2ccn1CC1CCCCC1.
What is the InChIKey of 7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one?
The InChIKey is MVICHLUMJUWVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-14-10-17-15(13-6-7-13)19(14)9-8-18(16)11-12-4-2-1-3-5-12/h8-10,12-13H,1-7,11H2.
What are the key properties of 7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one?
7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one has a molecular weight of 271.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-3-cyclopropylimidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).