3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile

C9H9FN4 — CID 119103554

IUPAC3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CC(CF)C1
InChIInChI=1S/C9H9FN4/c10-3-7-5-14(6-7)9-8(4-11)12-1-2-13-9/h1-2,7H,3,5-6H2
InChIKeyAMEPABNCPVEFQK-UHFFFAOYSA-N
MW192.20 g/mol
LogP0.75
Rot. Bonds2

About 3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile

3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 119103554) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is 3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile
PubChem CID119103554
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CC(CF)C1
InChIInChI=1S/C9H9FN4/c10-3-7-5-14(6-7)9-8(4-11)12-1-2-13-9/h1-2,7H,3,5-6H2
InChIKeyAMEPABNCPVEFQK-UHFFFAOYSA-N
XLogP0.75
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile (CID 119103554) is 3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CC(CF)C1.
What is the InChIKey of 3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is AMEPABNCPVEFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c10-3-7-5-14(6-7)9-8(4-11)12-1-2-13-9/h1-2,7H,3,5-6H2.
What are the key properties of 3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile?
3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 192.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(fluoromethyl)azetidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 119103554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).