1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol

C12H16N4O2 — CID 78955195

IUPAC1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol
SMILESCOCC(O)CN(C)c1ccc2nccnc2n1
InChIInChI=1S/C12H16N4O2/c1-16(7-9(17)8-18-2)11-4-3-10-12(15-11)14-6-5-13-10/h3-6,9,17H,7-8H2,1-2H3
InChIKeyHQLRUMOLYPAVDF-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.47
Rot. Bonds5

About 1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol

1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol (PubChem CID 78955195) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol
PubChem CID78955195
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol
SMILESCOCC(O)CN(C)c1ccc2nccnc2n1
InChIInChI=1S/C12H16N4O2/c1-16(7-9(17)8-18-2)11-4-3-10-12(15-11)14-6-5-13-10/h3-6,9,17H,7-8H2,1-2H3
InChIKeyHQLRUMOLYPAVDF-UHFFFAOYSA-N
XLogP0.47
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol (CID 78955195) is 1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol is COCC(O)CN(C)c1ccc2nccnc2n1.
What is the InChIKey of 1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol?
The InChIKey is HQLRUMOLYPAVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-16(7-9(17)8-18-2)11-4-3-10-12(15-11)14-6-5-13-10/h3-6,9,17H,7-8H2,1-2H3.
What are the key properties of 1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol?
1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol has a molecular weight of 248.29 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propan-2-ol is sourced from PubChem (CID 78955195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).