1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one

C12H17N3O2 — CID 62927319

IUPAC1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one
SMILESO=c1c(OCC2CCCN2)nccn1C1CC1
InChIInChI=1S/C12H17N3O2/c16-12-11(17-8-9-2-1-5-13-9)14-6-7-15(12)10-3-4-10/h6-7,9-10,13H,1-5,8H2
InChIKeyANKQBEJDVQCQCZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.71
Rot. Bonds4

About 1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one

1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one (PubChem CID 62927319) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one
PubChem CID62927319
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one
SMILESO=c1c(OCC2CCCN2)nccn1C1CC1
InChIInChI=1S/C12H17N3O2/c16-12-11(17-8-9-2-1-5-13-9)14-6-7-15(12)10-3-4-10/h6-7,9-10,13H,1-5,8H2
InChIKeyANKQBEJDVQCQCZ-UHFFFAOYSA-N
XLogP0.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one (CID 62927319) is 1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one is O=c1c(OCC2CCCN2)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one?
The InChIKey is ANKQBEJDVQCQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12-11(17-8-9-2-1-5-13-9)14-6-7-15(12)10-3-4-10/h6-7,9-10,13H,1-5,8H2.
What are the key properties of 1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one?
1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(pyrrolidin-2-ylmethoxy)pyrazin-2-one is sourced from PubChem (CID 62927319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).