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

C15H21N5O2 — CID 75537032

IUPAC(8aR)-7-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCn1ccnc1CN1C[C@H]2CN(C(=O)C3CC3)CCN2C1=O
InChIInChI=1S/C15H21N5O2/c1-17-5-4-16-13(17)10-19-9-12-8-18(14(21)11-2-3-11)6-7-20(12)15(19)22/h4-5,11-12H,2-3,6-10H2,1H3/t12-/m1/s1
InChIKeyZEPRBYKOPHTFIC-GFCCVEGCSA-N
MW303.37 g/mol
LogP0.28
Rot. Bonds3

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

(8aR)-7-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75537032) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (8aR)-7-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75537032
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(8aR)-7-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCn1ccnc1CN1C[C@H]2CN(C(=O)C3CC3)CCN2C1=O
InChIInChI=1S/C15H21N5O2/c1-17-5-4-16-13(17)10-19-9-12-8-18(14(21)11-2-3-11)6-7-20(12)15(19)22/h4-5,11-12H,2-3,6-10H2,1H3/t12-/m1/s1
InChIKeyZEPRBYKOPHTFIC-GFCCVEGCSA-N
XLogP0.28
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[4-(Dimethylamino)-1-piperidinyl]-3-(1-methyl-1H-imidazol-2-yl)-1-propanone
CID 71738795
8-Ethyl-1,6-dimethylimidazo[1,2-a]pyrimidin-1-ium-5,7-dione
CID 44459346
6,8-Diethyl-1-methylimidazo[1,2-a]pyrimidin-1-ium-5,7-dione
CID 44459418
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53559979
5-Cyclopropyl-3-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53566155
(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
3-Methyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-pyrrolidin-1-ylbutan-1-one
CID 56802160
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[2-methyl-3-(1-pyrrolidinyl)propanoyl]piperidine
CID 70752396
1-[2-(dimethylamino)ethyl]-4-{[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-2-pyrrolidinone
CID 70777043
2-[Cyclopropyl(methyl)amino]-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 72141972
1-(cyclopropylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72893576
Cyclopropyl[4-(1-methyl-2-imidazolyl)-1-piperazinyl]methanone
CID 25284768

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75537032) is (8aR)-7-(cyclopropanecarbonyl)-2-[(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)-7-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is Cn1ccnc1CN1C[C@H]2CN(C(=O)C3CC3)CCN2C1=O.
What is the InChIKey of (8aR)-7-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is ZEPRBYKOPHTFIC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-17-5-4-16-13(17)10-19-9-12-8-18(14(21)11-2-3-11)6-7-20(12)15(19)22/h4-5,11-12H,2-3,6-10H2,1H3/t12-/m1/s1.
What are the key properties of (8aR)-7-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-7-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 303.37 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75537032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).