2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine

C16H19N3O — CID 134697947

IUPAC2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine
SMILESCc1cccc(OC2CN(c3nc(C)cnc3C)C2)c1
InChIInChI=1S/C16H19N3O/c1-11-5-4-6-14(7-11)20-15-9-19(10-15)16-13(3)17-8-12(2)18-16/h4-8,15H,9-10H2,1-3H3
InChIKeyHYXAUGBFKULPAM-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.67
Rot. Bonds3

About 2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine

2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine (PubChem CID 134697947) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine
PubChem CID134697947
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine
SMILESCc1cccc(OC2CN(c3nc(C)cnc3C)C2)c1
InChIInChI=1S/C16H19N3O/c1-11-5-4-6-14(7-11)20-15-9-19(10-15)16-13(3)17-8-12(2)18-16/h4-8,15H,9-10H2,1-3H3
InChIKeyHYXAUGBFKULPAM-UHFFFAOYSA-N
XLogP2.67
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine (CID 134697947) is 2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine is Cc1cccc(OC2CN(c3nc(C)cnc3C)C2)c1.
What is the InChIKey of 2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine?
The InChIKey is HYXAUGBFKULPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-5-4-6-14(7-11)20-15-9-19(10-15)16-13(3)17-8-12(2)18-16/h4-8,15H,9-10H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine?
2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine has a molecular weight of 269.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine is sourced from PubChem (CID 134697947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).