3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine

C12H19N3O — CID 81081120

IUPAC3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
SMILESCOCCCC1CNc2c(C)ccnc2N1
InChIInChI=1S/C12H19N3O/c1-9-5-6-13-12-11(9)14-8-10(15-12)4-3-7-16-2/h5-6,10,14H,3-4,7-8H2,1-2H3,(H,13,15)
InChIKeyLYIQUHLGABYWEA-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.02
Rot. Bonds4

About 3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine

3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine (PubChem CID 81081120) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
PubChem CID81081120
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
SMILESCOCCCC1CNc2c(C)ccnc2N1
InChIInChI=1S/C12H19N3O/c1-9-5-6-13-12-11(9)14-8-10(15-12)4-3-7-16-2/h5-6,10,14H,3-4,7-8H2,1-2H3,(H,13,15)
InChIKeyLYIQUHLGABYWEA-UHFFFAOYSA-N
XLogP2.02
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine?
The IUPAC name of 3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine (CID 81081120) is 3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine.
What is the SMILES notation for 3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine?
The canonical SMILES for 3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine is COCCCC1CNc2c(C)ccnc2N1.
What is the InChIKey of 3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine?
The InChIKey is LYIQUHLGABYWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-5-6-13-12-11(9)14-8-10(15-12)4-3-7-16-2/h5-6,10,14H,3-4,7-8H2,1-2H3,(H,13,15).
What are the key properties of 3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine?
3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine has a molecular weight of 221.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-8-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine is sourced from PubChem (CID 81081120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).