7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one

C19H21N5O — CID 24948914

IUPAC7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1nnn(-c2ccccn2)n1
InChIInChI=1S/C19H21N5O/c25-17(13-7-2-1-4-10-16-11-5-3-6-12-16)19-21-23-24(22-19)18-14-8-9-15-20-18/h3,5-6,8-9,11-12,14-15H,1-2,4,7,10,13H2
InChIKeyJHFDXAJGBOJJNL-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.43
Rot. Bonds9

About 7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one

7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one (PubChem CID 24948914) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one.

Molecular Properties

Compound Name7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one
PubChem CID24948914
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1nnn(-c2ccccn2)n1
InChIInChI=1S/C19H21N5O/c25-17(13-7-2-1-4-10-16-11-5-3-6-12-16)19-21-23-24(22-19)18-14-8-9-15-20-18/h3,5-6,8-9,11-12,14-15H,1-2,4,7,10,13H2
InChIKeyJHFDXAJGBOJJNL-UHFFFAOYSA-N
XLogP3.43
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one?
The IUPAC name of 7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one (CID 24948914) is 7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one.
What is the SMILES notation for 7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one?
The canonical SMILES for 7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one is O=C(CCCCCCc1ccccc1)c1nnn(-c2ccccn2)n1.
What is the InChIKey of 7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one?
The InChIKey is JHFDXAJGBOJJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-17(13-7-2-1-4-10-16-11-5-3-6-12-16)19-21-23-24(22-19)18-14-8-9-15-20-18/h3,5-6,8-9,11-12,14-15H,1-2,4,7,10,13H2.
What are the key properties of 7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one?
7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one has a molecular weight of 335.41 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1-(2-pyridin-2-yltetrazol-5-yl)heptan-1-one is sourced from PubChem (CID 24948914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).