(8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C16H25N5O — CID 75537130

IUPAC(8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(C2CCCCC2)C[C@H]2CN(Cc3ncc[nH]3)CCN12
InChIInChI=1S/C16H25N5O/c22-16-20-9-8-19(12-15-17-6-7-18-15)10-14(20)11-21(16)13-4-2-1-3-5-13/h6-7,13-14H,1-5,8-12H2,(H,17,18)/t14-/m1/s1
InChIKeyDMWZSBBWTPGLBH-CQSZACIVSA-N
MW303.41 g/mol
LogP1.66
Rot. Bonds3

About (8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75537130) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75537130
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(C2CCCCC2)C[C@H]2CN(Cc3ncc[nH]3)CCN12
InChIInChI=1S/C16H25N5O/c22-16-20-9-8-19(12-15-17-6-7-18-15)10-14(20)11-21(16)13-4-2-1-3-5-13/h6-7,13-14H,1-5,8-12H2,(H,17,18)/t14-/m1/s1
InChIKeyDMWZSBBWTPGLBH-CQSZACIVSA-N
XLogP1.66
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75537130) is (8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C1N(C2CCCCC2)C[C@H]2CN(Cc3ncc[nH]3)CCN12.
What is the InChIKey of (8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is DMWZSBBWTPGLBH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N5O/c22-16-20-9-8-19(12-15-17-6-7-18-15)10-14(20)11-21(16)13-4-2-1-3-5-13/h6-7,13-14H,1-5,8-12H2,(H,17,18)/t14-/m1/s1.
What are the key properties of (8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 303.41 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-cyclohexyl-7-(1H-imidazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75537130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).