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

C12H19N5O — CID 75537117

IUPAC(8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1C[C@H]2CN(Cc3cnn(C)c3)CCN2C1=O
InChIInChI=1S/C12H19N5O/c1-14-8-11-9-16(3-4-17(11)12(14)18)7-10-5-13-15(2)6-10/h5-6,11H,3-4,7-9H2,1-2H3/t11-/m0/s1
InChIKeyHZNOCIAZKLFEJP-NSHDSACASA-N
MW249.32 g/mol
LogP-0.03
Rot. Bonds2

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

(8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75537117) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75537117
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1C[C@H]2CN(Cc3cnn(C)c3)CCN2C1=O
InChIInChI=1S/C12H19N5O/c1-14-8-11-9-16(3-4-17(11)12(14)18)7-10-5-13-15(2)6-10/h5-6,11H,3-4,7-9H2,1-2H3/t11-/m0/s1
InChIKeyHZNOCIAZKLFEJP-NSHDSACASA-N
XLogP-0.03
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75537117) is (8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is CN1C[C@H]2CN(Cc3cnn(C)c3)CCN2C1=O.
What is the InChIKey of (8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is HZNOCIAZKLFEJP-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N5O/c1-14-8-11-9-16(3-4-17(11)12(14)18)7-10-5-13-15(2)6-10/h5-6,11H,3-4,7-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 249.32 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-methyl-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75537117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).