1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol

C9H12ClN3O — CID 130993857

IUPAC1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol
SMILESCC1CC(O)CN1c1nccnc1Cl
InChIInChI=1S/C9H12ClN3O/c1-6-4-7(14)5-13(6)9-8(10)11-2-3-12-9/h2-3,6-7,14H,4-5H2,1H3
InChIKeyTWVJEKLEYSBEKZ-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.09
Rot. Bonds1

About 1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol

1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol (PubChem CID 130993857) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol
PubChem CID130993857
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol
SMILESCC1CC(O)CN1c1nccnc1Cl
InChIInChI=1S/C9H12ClN3O/c1-6-4-7(14)5-13(6)9-8(10)11-2-3-12-9/h2-3,6-7,14H,4-5H2,1H3
InChIKeyTWVJEKLEYSBEKZ-UHFFFAOYSA-N
XLogP1.09
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol?
The IUPAC name of 1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol (CID 130993857) is 1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol is CC1CC(O)CN1c1nccnc1Cl.
What is the InChIKey of 1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol?
The InChIKey is TWVJEKLEYSBEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-6-4-7(14)5-13(6)9-8(10)11-2-3-12-9/h2-3,6-7,14H,4-5H2,1H3.
What are the key properties of 1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol?
1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol has a molecular weight of 213.67 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropyrazin-2-yl)-5-methylpyrrolidin-3-ol is sourced from PubChem (CID 130993857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).