2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine

C12H19N3O — CID 104515792

IUPAC2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine
SMILESCCCC1(c2nccnc2OC)CCCN1
InChIInChI=1S/C12H19N3O/c1-3-5-12(6-4-7-15-12)10-11(16-2)14-9-8-13-10/h8-9,15H,3-7H2,1-2H3
InChIKeyJNUIWEYZNWZZSQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.86
Rot. Bonds4

About 2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine

2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine (PubChem CID 104515792) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine.

Molecular Properties

Compound Name2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine
PubChem CID104515792
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine
SMILESCCCC1(c2nccnc2OC)CCCN1
InChIInChI=1S/C12H19N3O/c1-3-5-12(6-4-7-15-12)10-11(16-2)14-9-8-13-10/h8-9,15H,3-7H2,1-2H3
InChIKeyJNUIWEYZNWZZSQ-UHFFFAOYSA-N
XLogP1.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine?
The IUPAC name of 2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine (CID 104515792) is 2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine.
What is the SMILES notation for 2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine?
The canonical SMILES for 2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine is CCCC1(c2nccnc2OC)CCCN1.
What is the InChIKey of 2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine?
The InChIKey is JNUIWEYZNWZZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-5-12(6-4-7-15-12)10-11(16-2)14-9-8-13-10/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine?
2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine has a molecular weight of 221.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-propylpyrrolidin-2-yl)pyrazine is sourced from PubChem (CID 104515792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).