2-[4-(tetrazol-1-yl)phenoxy]acetonitrile

C9H7N5O — CID 8566130

IUPAC2-[4-(tetrazol-1-yl)phenoxy]acetonitrile
SMILESN#CCOc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C9H7N5O/c10-5-6-15-9-3-1-8(2-4-9)14-7-11-12-13-14/h1-4,7H,6H2
InChIKeyJQTWRCCVNXBIAP-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.56
Rot. Bonds3

About 2-[4-(tetrazol-1-yl)phenoxy]acetonitrile

2-[4-(tetrazol-1-yl)phenoxy]acetonitrile (PubChem CID 8566130) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is 2-[4-(tetrazol-1-yl)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-(tetrazol-1-yl)phenoxy]acetonitrile
PubChem CID8566130
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC Name2-[4-(tetrazol-1-yl)phenoxy]acetonitrile
SMILESN#CCOc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C9H7N5O/c10-5-6-15-9-3-1-8(2-4-9)14-7-11-12-13-14/h1-4,7H,6H2
InChIKeyJQTWRCCVNXBIAP-UHFFFAOYSA-N
XLogP0.56
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine
CID 16764721
1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole
CID 18079355
N-prop-2-ynyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 40769610
1-[4-[(3-chlorophenyl)methoxy]phenyl]tetrazole
CID 7697447
1-[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]tetrazole
CID 46814565
2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione
CID 8566135
4-(tetrazol-1-yl)phenolate
CID 101371881
1-(4-fluorophenyl)tetrazole
CID 825628
[4-(tetrazol-1-yl)phenyl]methanol
CID 67038028
2-[4-(tetrazol-1-yl)phenoxy]propanoic acid
CID 6485344
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
2-[4-[4-(tetrazol-1-yl)phenoxy]butyl]isoindole-1,3-dione
CID 67598186

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetrazol-1-yl)phenoxy]acetonitrile?
The IUPAC name of 2-[4-(tetrazol-1-yl)phenoxy]acetonitrile (CID 8566130) is 2-[4-(tetrazol-1-yl)phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-(tetrazol-1-yl)phenoxy]acetonitrile?
The canonical SMILES for 2-[4-(tetrazol-1-yl)phenoxy]acetonitrile is N#CCOc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-[4-(tetrazol-1-yl)phenoxy]acetonitrile?
The InChIKey is JQTWRCCVNXBIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c10-5-6-15-9-3-1-8(2-4-9)14-7-11-12-13-14/h1-4,7H,6H2.
What are the key properties of 2-[4-(tetrazol-1-yl)phenoxy]acetonitrile?
2-[4-(tetrazol-1-yl)phenoxy]acetonitrile has a molecular weight of 201.19 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetrazol-1-yl)phenoxy]acetonitrile is sourced from PubChem (CID 8566130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).