1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine

C11H18N4O — CID 53185753

IUPAC1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine
SMILESCCCOc1nccnc1N1CCC(N)C1
InChIInChI=1S/C11H18N4O/c1-2-7-16-11-10(13-4-5-14-11)15-6-3-9(12)8-15/h4-5,9H,2-3,6-8,12H2,1H3
InChIKeyIWIDASLWNGCLBZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.80
Rot. Bonds4

About 1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine

1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine (PubChem CID 53185753) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine
PubChem CID53185753
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine
SMILESCCCOc1nccnc1N1CCC(N)C1
InChIInChI=1S/C11H18N4O/c1-2-7-16-11-10(13-4-5-14-11)15-6-3-9(12)8-15/h4-5,9H,2-3,6-8,12H2,1H3
InChIKeyIWIDASLWNGCLBZ-UHFFFAOYSA-N
XLogP0.80
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine (CID 53185753) is 1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine is CCCOc1nccnc1N1CCC(N)C1.
What is the InChIKey of 1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine?
The InChIKey is IWIDASLWNGCLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-7-16-11-10(13-4-5-14-11)15-6-3-9(12)8-15/h4-5,9H,2-3,6-8,12H2,1H3.
What are the key properties of 1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine?
1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine has a molecular weight of 222.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 53185753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).