(8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C17H25N5O2 — CID 75368713

IUPAC(8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccnc(N2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)n1
InChIInChI=1S/C17H25N5O2/c1-24-15-7-8-18-16(19-15)20-9-10-21-14(11-20)12-22(17(21)23)13-5-3-2-4-6-13/h7-8,13-14H,2-6,9-12H2,1H3/t14-/m1/s1
InChIKeyZGZUTQNKQRHUDC-CQSZACIVSA-N
MW331.42 g/mol
LogP1.74
Rot. Bonds3

About (8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368713) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368713
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccnc(N2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)n1
InChIInChI=1S/C17H25N5O2/c1-24-15-7-8-18-16(19-15)20-9-10-21-14(11-20)12-22(17(21)23)13-5-3-2-4-6-13/h7-8,13-14H,2-6,9-12H2,1H3/t14-/m1/s1
InChIKeyZGZUTQNKQRHUDC-CQSZACIVSA-N
XLogP1.74
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368713) is (8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is COc1ccnc(N2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)n1.
What is the InChIKey of (8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is ZGZUTQNKQRHUDC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-24-15-7-8-18-16(19-15)20-9-10-21-14(11-20)12-22(17(21)23)13-5-3-2-4-6-13/h7-8,13-14H,2-6,9-12H2,1H3/t14-/m1/s1.
What are the key properties of (8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 331.42 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-cyclohexyl-7-(4-methoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).