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

C12H19N3O2 — CID 79470984

IUPAC3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid
SMILESCCC(C)CN(CC)c1nccnc1C(=O)O
InChIInChI=1S/C12H19N3O2/c1-4-9(3)8-15(5-2)11-10(12(16)17)13-6-7-14-11/h6-7,9H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyQUQKNQNMELWJEM-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.05
Rot. Bonds6

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

3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid (PubChem CID 79470984) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid
PubChem CID79470984
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid
SMILESCCC(C)CN(CC)c1nccnc1C(=O)O
InChIInChI=1S/C12H19N3O2/c1-4-9(3)8-15(5-2)11-10(12(16)17)13-6-7-14-11/h6-7,9H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyQUQKNQNMELWJEM-UHFFFAOYSA-N
XLogP2.05
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid
CID 79470438
3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 62701844
3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
CID 62701319
3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile
CID 79470228
3-(N-ethylanilino)pyrazine-2-carboxylic acid
CID 62710006
1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol
CID 114056156
3-chloro-6-[ethyl(2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 79470761
4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid
CID 79480343
3-[bis(2-ethoxyethyl)amino]pyrazine-2-carboxylic acid
CID 82960478
3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid
CID 62702336
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062243
3-[2-methoxyethyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
CID 62702545

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid (CID 79470984) is 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid is CCC(C)CN(CC)c1nccnc1C(=O)O.
What is the InChIKey of 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is QUQKNQNMELWJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-9(3)8-15(5-2)11-10(12(16)17)13-6-7-14-11/h6-7,9H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid?
3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 79470984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).