5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile

C19H16N4O — CID 133485796

IUPAC5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CC(OCc3cccc4ccccc34)C2)cn1
InChIInChI=1S/C19H16N4O/c20-8-16-9-22-19(10-21-16)23-11-17(12-23)24-13-15-6-3-5-14-4-1-2-7-18(14)15/h1-7,9-10,17H,11-13H2
InChIKeyYHRZTSXCVQNDSQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.91
Rot. Bonds4

About 5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile

5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133485796) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile
PubChem CID133485796
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CC(OCc3cccc4ccccc34)C2)cn1
InChIInChI=1S/C19H16N4O/c20-8-16-9-22-19(10-21-16)23-11-17(12-23)24-13-15-6-3-5-14-4-1-2-7-18(14)15/h1-7,9-10,17H,11-13H2
InChIKeyYHRZTSXCVQNDSQ-UHFFFAOYSA-N
XLogP2.91
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile (CID 133485796) is 5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CC(OCc3cccc4ccccc34)C2)cn1.
What is the InChIKey of 5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is YHRZTSXCVQNDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c20-8-16-9-22-19(10-21-16)23-11-17(12-23)24-13-15-6-3-5-14-4-1-2-7-18(14)15/h1-7,9-10,17H,11-13H2.
What are the key properties of 5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile?
5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133485796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).