6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid

C9H13N3O3 — CID 66450555

IUPAC6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid
SMILESCC(O)CCNc1cncc(C(=O)O)n1
InChIInChI=1S/C9H13N3O3/c1-6(13)2-3-11-8-5-10-4-7(12-8)9(14)15/h4-6,13H,2-3H2,1H3,(H,11,12)(H,14,15)
InChIKeyGCLJETOEOCHODB-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.36
Rot. Bonds5

About 6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid

6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid (PubChem CID 66450555) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid
PubChem CID66450555
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid
SMILESCC(O)CCNc1cncc(C(=O)O)n1
InChIInChI=1S/C9H13N3O3/c1-6(13)2-3-11-8-5-10-4-7(12-8)9(14)15/h4-6,13H,2-3H2,1H3,(H,11,12)(H,14,15)
InChIKeyGCLJETOEOCHODB-UHFFFAOYSA-N
XLogP0.36
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid
CID 113410686
6-(pent-3-ynylamino)pyrazine-2-carboxylic acid
CID 116644352
6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid
CID 106287196
6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid
CID 66452088
6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid
CID 66449168
5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
CID 106136489
6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
CID 106339900
6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid
CID 114468104
6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 66456798
6-[2-(trifluoromethylsulfanyl)ethylamino]pyrazine-2-carboxylic acid
CID 106429575
4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid
CID 114335486
6-(hexan-3-ylamino)pyrazine-2-carboxylic acid
CID 66449518

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid (CID 66450555) is 6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid is CC(O)CCNc1cncc(C(=O)O)n1.
What is the InChIKey of 6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid?
The InChIKey is GCLJETOEOCHODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(13)2-3-11-8-5-10-4-7(12-8)9(14)15/h4-6,13H,2-3H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid?
6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66450555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).