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

C16H25N5O2 — CID 75368684

IUPAC(8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCn1cc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cn1
InChIInChI=1S/C16H25N5O2/c1-18-9-13(8-17-18)10-19-4-5-20-15(11-19)12-21(16(20)22)14-2-6-23-7-3-14/h8-9,14-15H,2-7,10-12H2,1H3/t15-/m1/s1
InChIKeyUYIFCUVPMIUSJM-OAHLLOKOSA-N
MW319.41 g/mol
LogP0.52
Rot. Bonds3

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

(8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368684) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368684
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCn1cc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cn1
InChIInChI=1S/C16H25N5O2/c1-18-9-13(8-17-18)10-19-4-5-20-15(11-19)12-21(16(20)22)14-2-6-23-7-3-14/h8-9,14-15H,2-7,10-12H2,1H3/t15-/m1/s1
InChIKeyUYIFCUVPMIUSJM-OAHLLOKOSA-N
XLogP0.52
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368684) is (8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is Cn1cc(CN2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cn1.
What is the InChIKey of (8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is UYIFCUVPMIUSJM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-18-9-13(8-17-18)10-19-4-5-20-15(11-19)12-21(16(20)22)14-2-6-23-7-3-14/h8-9,14-15H,2-7,10-12H2,1H3/t15-/m1/s1.
What are the key properties of (8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 319.41 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-[(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-yl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).