7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid

C14H15N3O2 — CID 115003543

IUPAC7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
SMILESCc1cccc(N2CCn3cnc(C(=O)O)c3C2)c1
InChIInChI=1S/C14H15N3O2/c1-10-3-2-4-11(7-10)16-5-6-17-9-15-13(14(18)19)12(17)8-16/h2-4,7,9H,5-6,8H2,1H3,(H,18,19)
InChIKeyIXQQUGGBYWUVMU-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.91
Rot. Bonds2

About 7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid

7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid (PubChem CID 115003543) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid.

Molecular Properties

Compound Name7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
PubChem CID115003543
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
SMILESCc1cccc(N2CCn3cnc(C(=O)O)c3C2)c1
InChIInChI=1S/C14H15N3O2/c1-10-3-2-4-11(7-10)16-5-6-17-9-15-13(14(18)19)12(17)8-16/h2-4,7,9H,5-6,8H2,1H3,(H,18,19)
InChIKeyIXQQUGGBYWUVMU-UHFFFAOYSA-N
XLogP1.91
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(1,2-oxazol-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
CID 96597293
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187
[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072
5-[4-(3-methylphenyl)piperazin-1-yl]furan-2-carboxylic acid
CID 62205839
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 20993320
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928
(3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110854226
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 57367851
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
5-chloro-1-(3-methylphenyl)triazole-4-carboxylic acid
CID 84700386

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
The IUPAC name of 7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid (CID 115003543) is 7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid.
What is the SMILES notation for 7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
The canonical SMILES for 7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid is Cc1cccc(N2CCn3cnc(C(=O)O)c3C2)c1.
What is the InChIKey of 7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
The InChIKey is IXQQUGGBYWUVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-3-2-4-11(7-10)16-5-6-17-9-15-13(14(18)19)12(17)8-16/h2-4,7,9H,5-6,8H2,1H3,(H,18,19).
What are the key properties of 7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid is sourced from PubChem (CID 115003543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).