7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one

C17H25N3O — CID 122652381

IUPAC7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one
SMILESCCCc1ncc2c(=O)n(CC3CCCCC3)c(C)cn12
InChIInChI=1S/C17H25N3O/c1-3-7-16-18-10-15-17(21)19(13(2)11-20(15)16)12-14-8-5-4-6-9-14/h10-11,14H,3-9,12H2,1-2H3
InChIKeyZVDAZHCIEJDXMC-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.34
Rot. Bonds4

About 7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one

7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one (PubChem CID 122652381) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one
PubChem CID122652381
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one
SMILESCCCc1ncc2c(=O)n(CC3CCCCC3)c(C)cn12
InChIInChI=1S/C17H25N3O/c1-3-7-16-18-10-15-17(21)19(13(2)11-20(15)16)12-14-8-5-4-6-9-14/h10-11,14H,3-9,12H2,1-2H3
InChIKeyZVDAZHCIEJDXMC-UHFFFAOYSA-N
XLogP3.34
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US10858362, Example 4
CID 122652213
US10858362, Example 13
CID 122652224
US10858362, Example 66--trans
CID 122652228
US10858362, Example 67
CID 122652247
US10858362, Example 12
CID 122652262
US10858362, Example 7
CID 122652273
US10858362, Example 62
CID 122652305
US10858362, Example 8
CID 122652314
US10858362, Example 65
CID 122652324
US10858362, Example 63
CID 122652331
US10858362, Example 11
CID 122652369
US10858362, Example 10
CID 122652379

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one (CID 122652381) is 7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one is CCCc1ncc2c(=O)n(CC3CCCCC3)c(C)cn12.
What is the InChIKey of 7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one?
The InChIKey is ZVDAZHCIEJDXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-7-16-18-10-15-17(21)19(13(2)11-20(15)16)12-14-8-5-4-6-9-14/h10-11,14H,3-9,12H2,1-2H3.
What are the key properties of 7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one?
7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one has a molecular weight of 287.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-6-methyl-3-propylimidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).