3-(2-methylpropylamino)pyrazine-2-carboxylic acid

C9H13N3O2 — CID 62709757

IUPAC3-(2-methylpropylamino)pyrazine-2-carboxylic acid
SMILESCC(C)CNc1nccnc1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-6(2)5-12-8-7(9(13)14)10-3-4-11-8/h3-4,6H,5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyMLDOFRFWVNCYQI-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.24
Rot. Bonds4

About 3-(2-methylpropylamino)pyrazine-2-carboxylic acid

3-(2-methylpropylamino)pyrazine-2-carboxylic acid (PubChem CID 62709757) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(2-methylpropylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpropylamino)pyrazine-2-carboxylic acid
PubChem CID62709757
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(2-methylpropylamino)pyrazine-2-carboxylic acid
SMILESCC(C)CNc1nccnc1C(=O)O
InChIInChI=1S/C9H13N3O2/c1-6(2)5-12-8-7(9(13)14)10-3-4-11-8/h3-4,6H,5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyMLDOFRFWVNCYQI-UHFFFAOYSA-N
XLogP1.24
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.24
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
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
2-Amino-3-bromopyrazine-5-carboxylic acid
CID 4218930
3-Amino-6-chloro-pyrazine-2-carboxylic acid
CID 12319185
3-((Tert-butoxycarbonyl)amino)pyrazine-2-carboxylic acid
CID 20623657
3-(Methylamino)pyrazine-2-carboxylic acid
CID 20699543

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2-methylpropylamino)pyrazine-2-carboxylic acid (CID 62709757) is 3-(2-methylpropylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2-methylpropylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2-methylpropylamino)pyrazine-2-carboxylic acid is CC(C)CNc1nccnc1C(=O)O.
What is the InChIKey of 3-(2-methylpropylamino)pyrazine-2-carboxylic acid?
The InChIKey is MLDOFRFWVNCYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)5-12-8-7(9(13)14)10-3-4-11-8/h3-4,6H,5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-(2-methylpropylamino)pyrazine-2-carboxylic acid?
3-(2-methylpropylamino)pyrazine-2-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62709757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).