6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid

C12H17N3O2 — CID 167414141

IUPAC6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)CNC(C1CCCC1)C2
InChIInChI=1S/C12H17N3O2/c16-12(17)10-7-15-6-9(8-3-1-2-4-8)13-5-11(15)14-10/h7-9,13H,1-6H2,(H,16,17)
InChIKeyWSNJZZUUHPKEGJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.24
Rot. Bonds2

About 6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid

6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 167414141) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid
PubChem CID167414141
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)CNC(C1CCCC1)C2
InChIInChI=1S/C12H17N3O2/c16-12(17)10-7-15-6-9(8-3-1-2-4-8)13-5-11(15)14-10/h7-9,13H,1-6H2,(H,16,17)
InChIKeyWSNJZZUUHPKEGJ-UHFFFAOYSA-N
XLogP1.24
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid?
The IUPAC name of 6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid (CID 167414141) is 6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid is O=C(O)c1cn2c(n1)CNC(C1CCCC1)C2.
What is the InChIKey of 6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid?
The InChIKey is WSNJZZUUHPKEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(17)10-7-15-6-9(8-3-1-2-4-8)13-5-11(15)14-10/h7-9,13H,1-6H2,(H,16,17).
What are the key properties of 6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid?
6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167414141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).