2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile

C14H11N5O — CID 70227232

IUPAC2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile
SMILESCCOc1nc2ccccc2c(-n2ccnn2)c1C#N
InChIInChI=1S/C14H11N5O/c1-2-20-14-11(9-15)13(19-8-7-16-18-19)10-5-3-4-6-12(10)17-14/h3-8H,2H2,1H3
InChIKeyVGROWHMADDUPAV-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.09
Rot. Bonds3

About 2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile

2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile (PubChem CID 70227232) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile
PubChem CID70227232
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile
SMILESCCOc1nc2ccccc2c(-n2ccnn2)c1C#N
InChIInChI=1S/C14H11N5O/c1-2-20-14-11(9-15)13(19-8-7-16-18-19)10-5-3-4-6-12(10)17-14/h3-8H,2H2,1H3
InChIKeyVGROWHMADDUPAV-UHFFFAOYSA-N
XLogP2.09
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile (CID 70227232) is 2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile is CCOc1nc2ccccc2c(-n2ccnn2)c1C#N.
What is the InChIKey of 2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile?
The InChIKey is VGROWHMADDUPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-2-20-14-11(9-15)13(19-8-7-16-18-19)10-5-3-4-6-12(10)17-14/h3-8H,2H2,1H3.
What are the key properties of 2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile?
2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile has a molecular weight of 265.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 70227232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).