3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine

C11H19N3O — CID 62600236

IUPAC3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine
SMILESCCCNC(CCOC)c1cnccn1
InChIInChI=1S/C11H19N3O/c1-3-5-13-10(4-8-15-2)11-9-12-6-7-14-11/h6-7,9-10,13H,3-5,8H2,1-2H3
InChIKeyZYWJNIWGGQRGRZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.55
Rot. Bonds7

About 3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine

3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine (PubChem CID 62600236) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine
PubChem CID62600236
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine
SMILESCCCNC(CCOC)c1cnccn1
InChIInChI=1S/C11H19N3O/c1-3-5-13-10(4-8-15-2)11-9-12-6-7-14-11/h6-7,9-10,13H,3-5,8H2,1-2H3
InChIKeyZYWJNIWGGQRGRZ-UHFFFAOYSA-N
XLogP1.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine?
The IUPAC name of 3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine (CID 62600236) is 3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine.
What is the SMILES notation for 3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine?
The canonical SMILES for 3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine is CCCNC(CCOC)c1cnccn1.
What is the InChIKey of 3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine?
The InChIKey is ZYWJNIWGGQRGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-13-10(4-8-15-2)11-9-12-6-7-14-11/h6-7,9-10,13H,3-5,8H2,1-2H3.
What are the key properties of 3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine?
3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propyl-1-pyrazin-2-ylpropan-1-amine is sourced from PubChem (CID 62600236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).