6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid

C9H13N3O4 — CID 66449168

IUPAC6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid
SMILESCOCC(O)CNc1cncc(C(=O)O)n1
InChIInChI=1S/C9H13N3O4/c1-16-5-6(13)2-11-8-4-10-3-7(12-8)9(14)15/h3-4,6,13H,2,5H2,1H3,(H,11,12)(H,14,15)
InChIKeyCYMCGAIGXMMLGO-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.41
Rot. Bonds6

About 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid

6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid (PubChem CID 66449168) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid
PubChem CID66449168
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid
SMILESCOCC(O)CNc1cncc(C(=O)O)n1
InChIInChI=1S/C9H13N3O4/c1-16-5-6(13)2-11-8-4-10-3-7(12-8)9(14)15/h3-4,6,13H,2,5H2,1H3,(H,11,12)(H,14,15)
InChIKeyCYMCGAIGXMMLGO-UHFFFAOYSA-N
XLogP-0.41
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate
CID 66457721
6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid
CID 106287196
6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid
CID 66450555
6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid
CID 114468104
4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid
CID 81243923
N-(2-hydroxy-3-methoxypropyl)-N-methyl-6-(methylamino)pyrazine-2-carboxamide
CID 114035881
6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 66456798
6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
CID 106247946
5-[(6-methoxycarbonylpyrazin-2-yl)amino]-4-methylpentanoic acid
CID 82017322
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
1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80712438

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid (CID 66449168) is 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid is COCC(O)CNc1cncc(C(=O)O)n1.
What is the InChIKey of 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is CYMCGAIGXMMLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-16-5-6(13)2-11-8-4-10-3-7(12-8)9(14)15/h3-4,6,13H,2,5H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid?
6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66449168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).