3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid

C10H13N3O2 — CID 62710998

IUPAC3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid
SMILESCC1(C)CC1Nc1nccnc1C(=O)O
InChIInChI=1S/C10H13N3O2/c1-10(2)5-6(10)13-8-7(9(14)15)11-3-4-12-8/h3-4,6H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeySKNSPDOUULGLQM-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.39
Rot. Bonds3

About 3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid

3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid (PubChem CID 62710998) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid
PubChem CID62710998
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid
SMILESCC1(C)CC1Nc1nccnc1C(=O)O
InChIInChI=1S/C10H13N3O2/c1-10(2)5-6(10)13-8-7(9(14)15)11-3-4-12-8/h3-4,6H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeySKNSPDOUULGLQM-UHFFFAOYSA-N
XLogP1.39
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 64629693
3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid
CID 124512624
3-[(3-hydroxy-3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid
CID 167888307
3-[(3-methylcyclopentyl)amino]pyrazine-2-carboxylic acid
CID 114541203
3-acetamidopyrazine-2-carboxylic acid
CID 10511603
5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087944
3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid
CID 83025369
N-(2,2-dimethylcyclopropyl)-3-methylpyridin-2-amine
CID 62255671
2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570956
N-(2,2-dimethylcyclopropyl)-3-fluoropyridin-2-amine
CID 62733054
3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid
CID 83191694
N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine
CID 61223122

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid (CID 62710998) is 3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid is CC1(C)CC1Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is SKNSPDOUULGLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-10(2)5-6(10)13-8-7(9(14)15)11-3-4-12-8/h3-4,6H,5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid?
3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopropyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 62710998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).