5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid

C12H17N3O2 — CID 107372454

IUPAC5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
SMILESCC(Nc1cnc(C(=O)O)cn1)C1CCCC1
InChIInChI=1S/C12H17N3O2/c1-8(9-4-2-3-5-9)15-11-7-13-10(6-14-11)12(16)17/h6-9H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeySMNKDSMQIRBUQB-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.17
Rot. Bonds4

About 5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid

5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid (PubChem CID 107372454) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
PubChem CID107372454
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
SMILESCC(Nc1cnc(C(=O)O)cn1)C1CCCC1
InChIInChI=1S/C12H17N3O2/c1-8(9-4-2-3-5-9)15-11-7-13-10(6-14-11)12(16)17/h6-9H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeySMNKDSMQIRBUQB-UHFFFAOYSA-N
XLogP2.17
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
CID 66450152
2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80571367
5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid
CID 122052869
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 107372363
2-N-(1-cyclohexylethyl)pyridine-2,5-diamine
CID 62406978
5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid
CID 82949530
2-N-(1-cyclopropylethyl)pyrazine-2,5-diamine
CID 80652857
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid
CID 122054901
5-chloro-N-(1-cyclohexylethyl)pyridin-2-amine
CID 62406315
5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid
CID 64732761
2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid
CID 63538856

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid (CID 107372454) is 5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid is CC(Nc1cnc(C(=O)O)cn1)C1CCCC1.
What is the InChIKey of 5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid?
The InChIKey is SMNKDSMQIRBUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(9-4-2-3-5-9)15-11-7-13-10(6-14-11)12(16)17/h6-9H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid?
5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).