carbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one

C8H15N3O4 — CID 161407839

IUPACcarbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCC1NC(=O)N2CCNCC12.O=C(O)O
InChIInChI=1S/C7H13N3O.CH2O3/c1-5-6-4-8-2-3-10(6)7(11)9-5;2-1(3)4/h5-6,8H,2-4H2,1H3,(H,9,11);(H2,2,3,4)
InChIKeyVVBSINZRVYWARL-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.41
Rot. Bonds

About carbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one

carbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 161407839) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is carbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Namecarbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID161407839
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Namecarbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCC1NC(=O)N2CCNCC12.O=C(O)O
InChIInChI=1S/C7H13N3O.CH2O3/c1-5-6-4-8-2-3-10(6)7(11)9-5;2-1(3)4/h5-6,8H,2-4H2,1H3,(H,9,11);(H2,2,3,4)
InChIKeyVVBSINZRVYWARL-UHFFFAOYSA-N
XLogP-0.41
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze carbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

(1S,7aS)-1-methyl-1,2,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-one
CID 176916786
cis-(1R,2S)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]cyclopentane-1-carboxylic acid
CID 118354117
2-(2-oxoimidazolidin-1-yl)cyclopentane-1-carboxylic acid
CID 64815504
2-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 64815698
1-(2,5-dimethylpiperidin-3-yl)imidazolidin-2-one
CID 164648351
3-oxo-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazine-8-carboxylic acid
CID 145294658
3-[(2S)-2-methylpiperazin-1-yl]benzoic acid
CID 45073187
6-methyl-1,4-diazepane-1-carboxylic acid
CID 90022052
(1R)-1-butyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-4-one
CID 175886364
4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 82755240
N-methyl-1-(2-oxo-1H-pyrazin-3-yl)piperazine-2-carboxamide
CID 114570988
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
CID 136978434

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of carbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 161407839) is carbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for carbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for carbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one is CC1NC(=O)N2CCNCC12.O=C(O)O.
What is the InChIKey of carbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is VVBSINZRVYWARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.CH2O3/c1-5-6-4-8-2-3-10(6)7(11)9-5;2-1(3)4/h5-6,8H,2-4H2,1H3,(H,9,11);(H2,2,3,4).
What are the key properties of carbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one?
carbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 217.22 g/mol, XLogP of -0.41, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-methyl-2,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 161407839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).