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

C16H19N5O — CID 75368577

IUPAC(8aR)-7-(1H-imidazol-2-ylmethyl)-2-phenyl-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/C16H19N5O/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/h1-7,14H,8-12H2,(H,17,18)/t14-/m1/s1
InChIKeySLNSAFVAKKQLIM-CQSZACIVSA-N
MW297.36 g/mol
LogP1.54
Rot. Bonds3

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

(8aR)-7-(1H-imidazol-2-ylmethyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368577) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (8aR)-7-(1H-imidazol-2-ylmethyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-(1H-imidazol-2-ylmethyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368577
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(8aR)-7-(1H-imidazol-2-ylmethyl)-2-phenyl-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/C16H19N5O/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/h1-7,14H,8-12H2,(H,17,18)/t14-/m1/s1
InChIKeySLNSAFVAKKQLIM-CQSZACIVSA-N
XLogP1.54
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aR)-7-(1H-imidazol-2-ylmethyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-(1H-imidazol-2-ylmethyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368577) is (8aR)-7-(1H-imidazol-2-ylmethyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-(1H-imidazol-2-ylmethyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-(1H-imidazol-2-ylmethyl)-2-phenyl-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)-7-(1H-imidazol-2-ylmethyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is SLNSAFVAKKQLIM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N5O/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/h1-7,14H,8-12H2,(H,17,18)/t14-/m1/s1.
What are the key properties of (8aR)-7-(1H-imidazol-2-ylmethyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-7-(1H-imidazol-2-ylmethyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 297.36 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-(1H-imidazol-2-ylmethyl)-2-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).