2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile

C15H12N6 — CID 154575908

IUPAC2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1N1CC(n2nccn2)C1
InChIInChI=1S/C15H12N6/c16-8-12-7-11-3-1-2-4-14(11)19-15(12)20-9-13(10-20)21-17-5-6-18-21/h1-7,13H,9-10H2
InChIKeyXMBKYAJIZREVDZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.76
Rot. Bonds2

About 2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile

2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile (PubChem CID 154575908) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile
PubChem CID154575908
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1N1CC(n2nccn2)C1
InChIInChI=1S/C15H12N6/c16-8-12-7-11-3-1-2-4-14(11)19-15(12)20-9-13(10-20)21-17-5-6-18-21/h1-7,13H,9-10H2
InChIKeyXMBKYAJIZREVDZ-UHFFFAOYSA-N
XLogP1.76
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile (CID 154575908) is 2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1N1CC(n2nccn2)C1.
What is the InChIKey of 2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is XMBKYAJIZREVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c16-8-12-7-11-3-1-2-4-14(11)19-15(12)20-9-13(10-20)21-17-5-6-18-21/h1-7,13H,9-10H2.
What are the key properties of 2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile?
2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 154575908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).