7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid

C13H19N3O3 — CID 115273264

IUPAC7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
SMILESCC(C)CCC(=O)N1CCn2cnc(C(=O)O)c2C1
InChIInChI=1S/C13H19N3O3/c1-9(2)3-4-11(17)15-5-6-16-8-14-12(13(18)19)10(16)7-15/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyRQSMPGLSROZFBB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.36
Rot. Bonds4

About 7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid

7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid (PubChem CID 115273264) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid.

Molecular Properties

Compound Name7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
PubChem CID115273264
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
SMILESCC(C)CCC(=O)N1CCn2cnc(C(=O)O)c2C1
InChIInChI=1S/C13H19N3O3/c1-9(2)3-4-11(17)15-5-6-16-8-14-12(13(18)19)10(16)7-15/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyRQSMPGLSROZFBB-UHFFFAOYSA-N
XLogP1.36
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-methylpentan-1-one
CID 130214710
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one
CID 79193296
1-[11,19-bis(4-methylpentanoyl)-3,7,11,15,19,23-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaen-3-yl]-4-methylpentan-1-one
CID 146565903
7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 170574690
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
1-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-4-methylpentan-1-one
CID 56552712
5-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methylpentan-1-one
CID 82688407
7-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyridine-1-carboxylic acid
CID 105438527
1-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-methylpentan-1-one
CID 56865520
4-methyl-1-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]pentan-1-one
CID 118137210
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
(2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid
CID 67356179

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
The IUPAC name of 7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid (CID 115273264) is 7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid.
What is the SMILES notation for 7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
The canonical SMILES for 7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid is CC(C)CCC(=O)N1CCn2cnc(C(=O)O)c2C1.
What is the InChIKey of 7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
The InChIKey is RQSMPGLSROZFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)3-4-11(17)15-5-6-16-8-14-12(13(18)19)10(16)7-15/h8-9H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpentanoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid is sourced from PubChem (CID 115273264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).