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

C14H23N5O2 — CID 75537142

IUPAC(8aR)-2-(2-methoxyethyl)-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOCCN1C[C@H]2CN(Cc3nccn3C)CCN2C1=O
InChIInChI=1S/C14H23N5O2/c1-16-4-3-15-13(16)11-17-5-6-19-12(9-17)10-18(14(19)20)7-8-21-2/h3-4,12H,5-11H2,1-2H3/t12-/m1/s1
InChIKeyPPDHHKJVXKDIMG-GFCCVEGCSA-N
MW293.37 g/mol
LogP-0.01
Rot. Bonds5

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

(8aR)-2-(2-methoxyethyl)-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75537142) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (8aR)-2-(2-methoxyethyl)-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-(2-methoxyethyl)-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75537142
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(8aR)-2-(2-methoxyethyl)-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOCCN1C[C@H]2CN(Cc3nccn3C)CCN2C1=O
InChIInChI=1S/C14H23N5O2/c1-16-4-3-15-13(16)11-17-5-6-19-12(9-17)10-18(14(19)20)7-8-21-2/h3-4,12H,5-11H2,1-2H3/t12-/m1/s1
InChIKeyPPDHHKJVXKDIMG-GFCCVEGCSA-N
XLogP-0.01
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 53570699
(4aR,7aS)-4-[(1-methylimidazol-2-yl)methyl]-6-(2-methylpropyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775144
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71868060
3-ethyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 71868069
N-(2-imidazol-1-ylethyl)-3-methylmorpholine-4-carboxamide
CID 71894039
N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide
CID 71894161
(4S)-4-isopropyl-3-[(1-isopropyl-1H-imidazol-2-yl)methyl]-1,3-oxazolidin-2-one
CID 72841303
(8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-methylsulfonyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368534
(3aR,7aS)-5-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97508589
(4aR,7aS)-6-cyclohexyl-4-[(1-methylimidazol-2-yl)methyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775140
(8aR)-7-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537032
(8aR)-7-(1H-imidazol-2-ylmethyl)-2-(2-methoxyethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537141

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-(2-methoxyethyl)-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-(2-methoxyethyl)-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75537142) is (8aR)-2-(2-methoxyethyl)-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-(2-methoxyethyl)-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-(2-methoxyethyl)-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is COCCN1C[C@H]2CN(Cc3nccn3C)CCN2C1=O.
What is the InChIKey of (8aR)-2-(2-methoxyethyl)-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is PPDHHKJVXKDIMG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-16-4-3-15-13(16)11-17-5-6-19-12(9-17)10-18(14(19)20)7-8-21-2/h3-4,12H,5-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (8aR)-2-(2-methoxyethyl)-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-(2-methoxyethyl)-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 293.37 g/mol, XLogP of -0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-(2-methoxyethyl)-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75537142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).