methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate

C10H15N3O4 — CID 66457721

IUPACmethyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate
SMILESCOCC(O)CNc1cncc(C(=O)OC)n1
InChIInChI=1S/C10H15N3O4/c1-16-6-7(14)3-12-9-5-11-4-8(13-9)10(15)17-2/h4-5,7,14H,3,6H2,1-2H3,(H,12,13)
InChIKeyRMPZPKACNUTYOS-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.32
Rot. Bonds6

About methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate

methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate (PubChem CID 66457721) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate
PubChem CID66457721
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Namemethyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate
SMILESCOCC(O)CNc1cncc(C(=O)OC)n1
InChIInChI=1S/C10H15N3O4/c1-16-6-7(14)3-12-9-5-11-4-8(13-9)10(15)17-2/h4-5,7,14H,3,6H2,1-2H3,(H,12,13)
InChIKeyRMPZPKACNUTYOS-UHFFFAOYSA-N
XLogP-0.32
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate 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 methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate (CID 66457721) is methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate is COCC(O)CNc1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate?
The InChIKey is RMPZPKACNUTYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-16-6-7(14)3-12-9-5-11-4-8(13-9)10(15)17-2/h4-5,7,14H,3,6H2,1-2H3,(H,12,13).
What are the key properties of methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate?
methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate has a molecular weight of 241.25 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 66457721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).