(8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide

C13H24N4O3 — CID 75537030

IUPAC(8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCOCCN1C[C@H]2CN(C(=O)NC(C)C)CCN2C1=O
InChIInChI=1S/C13H24N4O3/c1-10(2)14-12(18)15-4-5-17-11(8-15)9-16(13(17)19)6-7-20-3/h10-11H,4-9H2,1-3H3,(H,14,18)/t11-/m1/s1
InChIKeyOAURCHHKKSFNBY-LLVKDONJSA-N
MW284.36 g/mol
LogP0.17
Rot. Bonds4

About (8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide

(8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 75537030) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID75537030
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name(8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCOCCN1C[C@H]2CN(C(=O)NC(C)C)CCN2C1=O
InChIInChI=1S/C13H24N4O3/c1-10(2)14-12(18)15-4-5-17-11(8-15)9-16(13(17)19)6-7-20-3/h10-11H,4-9H2,1-3H3,(H,14,18)/t11-/m1/s1
InChIKeyOAURCHHKKSFNBY-LLVKDONJSA-N
XLogP0.17
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of (8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 75537030) is (8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for (8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for (8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide is COCCN1C[C@H]2CN(C(=O)NC(C)C)CCN2C1=O.
What is the InChIKey of (8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is OAURCHHKKSFNBY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-10(2)14-12(18)15-4-5-17-11(8-15)9-16(13(17)19)6-7-20-3/h10-11H,4-9H2,1-3H3,(H,14,18)/t11-/m1/s1.
What are the key properties of (8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
(8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-(2-methoxyethyl)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 75537030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).