5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate

C15H22N3O6- — CID 7675186

IUPAC5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate
SMILESCC(C)(CC(=O)[O-])CC(=O)N1CCN2C(=O)N(CCO)C(=O)[C@H]2C1
InChIInChI=1S/C15H23N3O6/c1-15(2,8-12(21)22)7-11(20)16-3-4-17-10(9-16)13(23)18(5-6-19)14(17)24/h10,19H,3-9H2,1-2H3,(H,21,22)/p-1/t10-/m1/s1
InChIKeyMTIDYYXQRNZKKD-SNVBAGLBSA-M
MW340.36 g/mol
LogP-1.99
Rot. Bonds6

About 5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate

5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate (PubChem CID 7675186) has the molecular formula C15H22N3O6- and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate.

Molecular Properties

Compound Name5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate
PubChem CID7675186
Molecular FormulaC15H22N3O6-
Molecular Weight340.36 g/mol
Exact Mass340.15
IUPAC Name5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate
SMILESCC(C)(CC(=O)[O-])CC(=O)N1CCN2C(=O)N(CCO)C(=O)[C@H]2C1
InChIInChI=1S/C15H23N3O6/c1-15(2,8-12(21)22)7-11(20)16-3-4-17-10(9-16)13(23)18(5-6-19)14(17)24/h10,19H,3-9H2,1-2H3,(H,21,22)/p-1/t10-/m1/s1
InChIKeyMTIDYYXQRNZKKD-SNVBAGLBSA-M
XLogP-1.99
TPSA121.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 5-1.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethyl)-7-(1,3-thiazolidine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 78523130
5-[(4aR)-9-(4-chlorophenyl)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-3,3-dimethyl-5-oxopentanoate
CID 7135465
(8aS)-7-[2-(methylamino)acetyl]-2-prop-2-enyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 7675129
7-(2-methoxyacetyl)-2-(2-thiophen-2-ylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 78524222
7-(3,3-dimethylbutanoyl)-2-(1-phenylethyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 78524192
tert-butyl 2-ethyl-1,3-dioxo-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-8-carboxylate
CID 138020374
2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 131961759
4-[(8aS)-1,3-dioxo-2-[(1R)-1-phenylethyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoate
CID 7682068
tert-butyl (8aS)-2-hydroxy-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate
CID 118525644
2-[7-(cyclohexanecarbonyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide
CID 74700547
1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56659601
(9aR)-2-(3-hydroxypropanoyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95143312

Frequently Asked Questions

What is the IUPAC name of 5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate?
The IUPAC name of 5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate (CID 7675186) is 5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate.
What is the SMILES notation for 5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate?
The canonical SMILES for 5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate is CC(C)(CC(=O)[O-])CC(=O)N1CCN2C(=O)N(CCO)C(=O)[C@H]2C1.
What is the InChIKey of 5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate?
The InChIKey is MTIDYYXQRNZKKD-SNVBAGLBSA-M. The full InChI is InChI=1S/C15H23N3O6/c1-15(2,8-12(21)22)7-11(20)16-3-4-17-10(9-16)13(23)18(5-6-19)14(17)24/h10,19H,3-9H2,1-2H3,(H,21,22)/p-1/t10-/m1/s1.
What are the key properties of 5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate?
5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate has a molecular weight of 340.36 g/mol, XLogP of -1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8aR)-2-(2-hydroxyethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-3,3-dimethyl-5-oxopentanoate is sourced from PubChem (CID 7675186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).