3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid

C10H13N3O2 — CID 62702336

IUPAC3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid
SMILESCCN(c1nccnc1C(=O)O)C1CC1
InChIInChI=1S/C10H13N3O2/c1-2-13(7-3-4-7)9-8(10(14)15)11-5-6-12-9/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyWJJDHEHMXUIRHG-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.16
Rot. Bonds4

About 3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid

3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid (PubChem CID 62702336) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid
PubChem CID62702336
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid
SMILESCCN(c1nccnc1C(=O)O)C1CC1
InChIInChI=1S/C10H13N3O2/c1-2-13(7-3-4-7)9-8(10(14)15)11-5-6-12-9/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyWJJDHEHMXUIRHG-UHFFFAOYSA-N
XLogP1.16
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-2-pyrazinecarboxylic acid
CID 72656
6-Aminopyrazine-2-carboxylic acid
CID 12295729
5-Aminopyrazine-2-carboxylic acid
CID 21897334
3-Amino-6-bromopyrazine-2-carboxylic acid
CID 18521600
Sodium 3-(propylamino)pyrazine-2-carboxylate
CID 168277678
Hypnosin
CID 10511603
6-(Methylamino)pyrazine-2-carboxylic acid
CID 818291
6-(Dimethylamino)pyrazine-2-carboxylic acid
CID 1282536
3-((Tert-butoxycarbonyl)amino)pyrazine-2-carboxylic acid
CID 20623657
3-(Methylamino)pyrazine-2-carboxylic acid
CID 20699543
5-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}pyrazine-2-carboxylic acid
CID 45789761
5-(Morpholin-4-yl)pyrazine-2-carboxylic acid
CID 45789762

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid (CID 62702336) is 3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid is CCN(c1nccnc1C(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is WJJDHEHMXUIRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-13(7-3-4-7)9-8(10(14)15)11-5-6-12-9/h5-7H,2-4H2,1H3,(H,14,15).
What are the key properties of 3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid?
3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 62702336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).