3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid

C12H17N3O2 — CID 138635844

IUPAC3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
SMILESCCc1nc(C2CC2)n2c1CN(C(=O)O)CC2
InChIInChI=1S/C12H17N3O2/c1-2-9-10-7-14(12(16)17)5-6-15(10)11(13-9)8-3-4-8/h8H,2-7H2,1H3,(H,16,17)
InChIKeyHBLGFNMTHZFFSG-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.82
Rot. Bonds2

About 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid

3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid (PubChem CID 138635844) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
PubChem CID138635844
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
SMILESCCc1nc(C2CC2)n2c1CN(C(=O)O)CC2
InChIInChI=1S/C12H17N3O2/c1-2-9-10-7-14(12(16)17)5-6-15(10)11(13-9)8-3-4-8/h8H,2-7H2,1H3,(H,16,17)
InChIKeyHBLGFNMTHZFFSG-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid (CID 138635844) is 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid is CCc1nc(C2CC2)n2c1CN(C(=O)O)CC2.
What is the InChIKey of 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
The InChIKey is HBLGFNMTHZFFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-9-10-7-14(12(16)17)5-6-15(10)11(13-9)8-3-4-8/h8H,2-7H2,1H3,(H,16,17).
What are the key properties of 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid?
3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 138635844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).