3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid

C10H15N3O2 — CID 62701485

IUPAC3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)CN(C)c1nccnc1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-7(2)6-13(3)9-8(10(14)15)11-4-5-12-9/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeySRHVTBITALVVCV-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.27
Rot. Bonds4

About 3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid

3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid (PubChem CID 62701485) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid
PubChem CID62701485
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)CN(C)c1nccnc1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-7(2)6-13(3)9-8(10(14)15)11-4-5-12-9/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeySRHVTBITALVVCV-UHFFFAOYSA-N
XLogP1.27
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.27
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
2-Amino-3-bromopyrazine-5-carboxylic acid
CID 4218930
3-Amino-6-chloro-pyrazine-2-carboxylic acid
CID 12319185
1-Ethylimidazole-4-carboxylic acid
CID 15047453
3-((Tert-butoxycarbonyl)amino)pyrazine-2-carboxylic acid
CID 20623657

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid (CID 62701485) is 3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid is CC(C)CN(C)c1nccnc1C(=O)O.
What is the InChIKey of 3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is SRHVTBITALVVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)6-13(3)9-8(10(14)15)11-4-5-12-9/h4-5,7H,6H2,1-3H3,(H,14,15).
What are the key properties of 3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid?
3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 62701485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).