6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid

C10H13N3O2 — CID 131052387

IUPAC6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid
SMILESCCC1(Nc2cncc(C(=O)O)n2)CC1
InChIInChI=1S/C10H13N3O2/c1-2-10(3-4-10)13-8-6-11-5-7(12-8)9(14)15/h5-6H,2-4H2,1H3,(H,12,13)(H,14,15)
InChIKeyCQSDXWSCRFLTPX-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.53
Rot. Bonds4

About 6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid

6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid (PubChem CID 131052387) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid
PubChem CID131052387
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid
SMILESCCC1(Nc2cncc(C(=O)O)n2)CC1
InChIInChI=1S/C10H13N3O2/c1-2-10(3-4-10)13-8-6-11-5-7(12-8)9(14)15/h5-6H,2-4H2,1H3,(H,12,13)(H,14,15)
InChIKeyCQSDXWSCRFLTPX-UHFFFAOYSA-N
XLogP1.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
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
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-{[(Tert-butoxy)carbonyl]amino}pyrazine-2-carboxylic acid
CID 52903804
5-(Dimethylamino)pyrazine-2-carboxylic acid
CID 64273735
Sodium 3-amino-5-(butanoylamino)pyrazine-2-carboxylate
CID 168269385

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid (CID 131052387) is 6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid is CCC1(Nc2cncc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is CQSDXWSCRFLTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-10(3-4-10)13-8-6-11-5-7(12-8)9(14)15/h5-6H,2-4H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid?
6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylcyclopropyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 131052387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).