7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde

C12H15N3O2 — CID 115267847

IUPAC7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESCc1nc(C=O)c2n1CCN(C(=O)C1CC1)C2
InChIInChI=1S/C12H15N3O2/c1-8-13-10(7-16)11-6-14(4-5-15(8)11)12(17)9-2-3-9/h7,9H,2-6H2,1H3
InChIKeyVBWKCIJFPQNYDY-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.76
Rot. Bonds2

About 7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde

7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde (PubChem CID 115267847) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde.

Molecular Properties

Compound Name7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
PubChem CID115267847
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESCc1nc(C=O)c2n1CCN(C(=O)C1CC1)C2
InChIInChI=1S/C12H15N3O2/c1-8-13-10(7-16)11-6-14(4-5-15(8)11)12(17)9-2-3-9/h7,9H,2-6H2,1H3
InChIKeyVBWKCIJFPQNYDY-UHFFFAOYSA-N
XLogP0.76
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
CID 115267845
(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 95287909
cyclopropyl-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872601
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
7-butanoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
CID 115267814
cyclopropyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872742
cycloheptyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 71930214
cyclopropyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 32890593
4-(4-methyl-3-oxopiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 64694555
cyclopropyl-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 32890940
cyclopropyl-[4-[(4,6-dimethylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 47156722
(2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-cyclobutylmethanone
CID 125454299

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
The IUPAC name of 7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde (CID 115267847) is 7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde.
What is the SMILES notation for 7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
The canonical SMILES for 7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde is Cc1nc(C=O)c2n1CCN(C(=O)C1CC1)C2.
What is the InChIKey of 7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
The InChIKey is VBWKCIJFPQNYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-13-10(7-16)11-6-14(4-5-15(8)11)12(17)9-2-3-9/h7,9H,2-6H2,1H3.
What are the key properties of 7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde has a molecular weight of 233.27 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonyl)-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde is sourced from PubChem (CID 115267847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).