5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid

C10H16N4O2 — CID 82949530

IUPAC5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid
SMILESCC(CN(C)C)Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C10H16N4O2/c1-7(6-14(2)3)13-9-5-11-8(4-12-9)10(15)16/h4-5,7H,6H2,1-3H3,(H,12,13)(H,15,16)
InChIKeyJUILNXXBCIKMCO-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.54
Rot. Bonds5

About 5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid

5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid (PubChem CID 82949530) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid
PubChem CID82949530
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid
SMILESCC(CN(C)C)Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C10H16N4O2/c1-7(6-14(2)3)13-9-5-11-8(4-12-9)10(15)16/h4-5,7H,6H2,1-3H3,(H,12,13)(H,15,16)
InChIKeyJUILNXXBCIKMCO-UHFFFAOYSA-N
XLogP0.54
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[1-(dimethylamino)propan-2-ylamino]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

Related Compounds

5-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]pyrazine-2-carboxylic acid
CID 122058004
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 107372363
5-(7-methyloctylamino)pyrazine-2-carboxylic acid
CID 107815534
5-[4-(4-methoxyphenyl)butan-2-ylamino]pyrazine-2-carboxylic acid
CID 122047940
5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
CID 106136489
5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106190134
5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
CID 107372454
5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 122047926
5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid
CID 122053579
2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 82939267
5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid
CID 122048084
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326

Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid (CID 82949530) is 5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid is CC(CN(C)C)Nc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid?
The InChIKey is JUILNXXBCIKMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7(6-14(2)3)13-9-5-11-8(4-12-9)10(15)16/h4-5,7H,6H2,1-3H3,(H,12,13)(H,15,16).
What are the key properties of 5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid?
5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 82949530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).