1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol

C9H13N3O — CID 123922310

IUPAC1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol
SMILESCc1cnc(N2CCCC2O)cn1
InChIInChI=1S/C9H13N3O/c1-7-5-11-8(6-10-7)12-4-2-3-9(12)13/h5-6,9,13H,2-4H2,1H3
InChIKeyRYXXKFZMODTFPK-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.70
Rot. Bonds1

About 1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol

1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol (PubChem CID 123922310) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol
PubChem CID123922310
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol
SMILESCc1cnc(N2CCCC2O)cn1
InChIInChI=1S/C9H13N3O/c1-7-5-11-8(6-10-7)12-4-2-3-9(12)13/h5-6,9,13H,2-4H2,1H3
InChIKeyRYXXKFZMODTFPK-UHFFFAOYSA-N
XLogP0.70
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol?
The IUPAC name of 1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol (CID 123922310) is 1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol is Cc1cnc(N2CCCC2O)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol?
The InChIKey is RYXXKFZMODTFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-5-11-8(6-10-7)12-4-2-3-9(12)13/h5-6,9,13H,2-4H2,1H3.
What are the key properties of 1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol?
1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol has a molecular weight of 179.22 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)pyrrolidin-2-ol is sourced from PubChem (CID 123922310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).