3-(propan-2-ylamino)pyrazine-2-carboxylic acid

C8H11N3O2 — CID 62710090

IUPAC3-(propan-2-ylamino)pyrazine-2-carboxylic acid
SMILESCC(C)Nc1nccnc1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-5(2)11-7-6(8(12)13)9-3-4-10-7/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyRCGDRACRXLSCGF-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.00
Rot. Bonds3

About 3-(propan-2-ylamino)pyrazine-2-carboxylic acid

3-(propan-2-ylamino)pyrazine-2-carboxylic acid (PubChem CID 62710090) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(propan-2-ylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(propan-2-ylamino)pyrazine-2-carboxylic acid
PubChem CID62710090
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name3-(propan-2-ylamino)pyrazine-2-carboxylic acid
SMILESCC(C)Nc1nccnc1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-5(2)11-7-6(8(12)13)9-3-4-10-7/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyRCGDRACRXLSCGF-UHFFFAOYSA-N
XLogP1.00
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-2-pyrazinecarboxylic acid
CID 72656
Pterin-6-Carboxylic Acid
CID 135403803
2-Amino-1,4-dihydro-4-oxopteridine-7-carboxylic acid
CID 135460042
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

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(propan-2-ylamino)pyrazine-2-carboxylic acid (CID 62710090) is 3-(propan-2-ylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(propan-2-ylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(propan-2-ylamino)pyrazine-2-carboxylic acid is CC(C)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-(propan-2-ylamino)pyrazine-2-carboxylic acid?
The InChIKey is RCGDRACRXLSCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5(2)11-7-6(8(12)13)9-3-4-10-7/h3-5H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 3-(propan-2-ylamino)pyrazine-2-carboxylic acid?
3-(propan-2-ylamino)pyrazine-2-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62710090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).