1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone

C14H11N5O — CID 58929263

IUPAC1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C14H11N5O/c1-10(20)11-5-4-6-12(9-11)19-17-14(16-18-19)13-7-2-3-8-15-13/h2-9H,1H3
InChIKeyLHGQGRSVMWYCNV-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.93
Rot. Bonds3

About 1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone

1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone (PubChem CID 58929263) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone
PubChem CID58929263
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C14H11N5O/c1-10(20)11-5-4-6-12(9-11)19-17-14(16-18-19)13-7-2-3-8-15-13/h2-9H,1H3
InChIKeyLHGQGRSVMWYCNV-UHFFFAOYSA-N
XLogP1.93
TPSA73.56 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 ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone (CID 58929263) is 1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone is CC(=O)c1cccc(-n2nnc(-c3ccccn3)n2)c1.
What is the InChIKey of 1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone?
The InChIKey is LHGQGRSVMWYCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-10(20)11-5-4-6-12(9-11)19-17-14(16-18-19)13-7-2-3-8-15-13/h2-9H,1H3.
What are the key properties of 1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone?
1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone has a molecular weight of 265.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone is sourced from PubChem (CID 58929263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).