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

C15H15N3O2 — CID 115267854

IUPAC7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESCc1nc(C=O)c2n1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C15H15N3O2/c1-11-16-13(10-19)14-9-17(7-8-18(11)14)15(20)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3
InChIKeyMWNCJFSQZGUYBB-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.66
Rot. Bonds2

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

7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde (PubChem CID 115267854) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde.

Molecular Properties

Compound Name7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
PubChem CID115267854
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESCc1nc(C=O)c2n1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C15H15N3O2/c1-11-16-13(10-19)14-9-17(7-8-18(11)14)15(20)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3
InChIKeyMWNCJFSQZGUYBB-UHFFFAOYSA-N
XLogP1.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.66
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-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 66932336
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
4-benzoylpiperazine-1-carbothialdehyde
CID 145488084
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
methyl formate;phenyl(pyrrolidin-1-yl)methanone
CID 145150279
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
CID 71447982

Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
The IUPAC name of 7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde (CID 115267854) is 7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde.
What is the SMILES notation for 7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
The canonical SMILES for 7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde is Cc1nc(C=O)c2n1CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of 7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
The InChIKey is MWNCJFSQZGUYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-16-13(10-19)14-9-17(7-8-18(11)14)15(20)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3.
What are the key properties of 7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde?
7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde has a molecular weight of 269.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde is sourced from PubChem (CID 115267854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).