1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol

C10H14ClN3O — CID 103055334

IUPAC1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(Cc2cnc(Cl)cn2)C1
InChIInChI=1S/C10H14ClN3O/c1-2-10(15)6-14(7-10)5-8-3-13-9(11)4-12-8/h3-4,15H,2,5-7H2,1H3
InChIKeyPOVMROODRQSLQZ-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.09
Rot. Bonds3

About 1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol

1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol (PubChem CID 103055334) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol.

Molecular Properties

Compound Name1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol
PubChem CID103055334
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(Cc2cnc(Cl)cn2)C1
InChIInChI=1S/C10H14ClN3O/c1-2-10(15)6-14(7-10)5-8-3-13-9(11)4-12-8/h3-4,15H,2,5-7H2,1H3
InChIKeyPOVMROODRQSLQZ-UHFFFAOYSA-N
XLogP1.09
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
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-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol?
The IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol (CID 103055334) is 1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol.
What is the SMILES notation for 1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol?
The canonical SMILES for 1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol is CCC1(O)CN(Cc2cnc(Cl)cn2)C1.
What is the InChIKey of 1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol?
The InChIKey is POVMROODRQSLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-2-10(15)6-14(7-10)5-8-3-13-9(11)4-12-8/h3-4,15H,2,5-7H2,1H3.
What are the key properties of 1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol?
1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol has a molecular weight of 227.69 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol is sourced from PubChem (CID 103055334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).