3-(propylamino)pyrazine-2-carboxylic acid

C8H11N3O2 — CID 62709751

IUPAC3-(propylamino)pyrazine-2-carboxylic acid
SMILESCCCNc1nccnc1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-2-3-10-7-6(8(12)13)9-4-5-11-7/h4-5H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyYSXDTXRABBLSGD-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.00
Rot. Bonds4

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

3-(propylamino)pyrazine-2-carboxylic acid (PubChem CID 62709751) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(propylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(propylamino)pyrazine-2-carboxylic acid
PubChem CID62709751
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name3-(propylamino)pyrazine-2-carboxylic acid
SMILESCCCNc1nccnc1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-2-3-10-7-6(8(12)13)9-4-5-11-7/h4-5H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyYSXDTXRABBLSGD-UHFFFAOYSA-N
XLogP1.00
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 3-(propylamino)pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(propylamino)pyrazine-2-carboxylic acid (CID 62709751) is 3-(propylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(propylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(propylamino)pyrazine-2-carboxylic acid is CCCNc1nccnc1C(=O)O.
What is the InChIKey of 3-(propylamino)pyrazine-2-carboxylic acid?
The InChIKey is YSXDTXRABBLSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-3-10-7-6(8(12)13)9-4-5-11-7/h4-5H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-(propylamino)pyrazine-2-carboxylic acid?
3-(propylamino)pyrazine-2-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62709751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).