2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile

C10H9N5O — CID 646836

IUPAC2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile
SMILESCOc1ccccc1-c1nnn(CC#N)n1
InChIInChI=1S/C10H9N5O/c1-16-9-5-3-2-4-8(9)10-12-14-15(13-10)7-6-11/h2-5H,7H2,1H3
InChIKeyYRAYNOBMTFJGBB-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.87
Rot. Bonds3

About 2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile

2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile (PubChem CID 646836) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile
PubChem CID646836
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile
SMILESCOc1ccccc1-c1nnn(CC#N)n1
InChIInChI=1S/C10H9N5O/c1-16-9-5-3-2-4-8(9)10-12-14-15(13-10)7-6-11/h2-5H,7H2,1H3
InChIKeyYRAYNOBMTFJGBB-UHFFFAOYSA-N
XLogP0.87
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Methoxyphenyl)-2H-tetrazole
CID 307902
3-(4-Methoxyphenyl)-1,2,4,5-tetrazine
CID 824652
2H-Tetrazole-2-propanenitrile, 5-(4-(phenylmethoxy)phenyl)-
CID 3076090
2-[5-(4-Methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
CID 83535370
2-(2-Fluoro-benzyl)-5-(4-methoxy-phenyl)-2H-tetrazole
CID 573142
[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]acetonitrile
CID 605082
5-[4-[(2-Fluorophenyl)methoxy]phenyl]-2-methyltetrazole
CID 748005
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488
(E)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512226
(E)-2-[[4-(2-ethyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512243
(Z)-2-[[4-(2-ethyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369018
(Z)-2-[[4-(2-tert-butyltetrazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369037

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile?
The IUPAC name of 2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile (CID 646836) is 2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile is COc1ccccc1-c1nnn(CC#N)n1.
What is the InChIKey of 2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile?
The InChIKey is YRAYNOBMTFJGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-16-9-5-3-2-4-8(9)10-12-14-15(13-10)7-6-11/h2-5H,7H2,1H3.
What are the key properties of 2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile?
2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile has a molecular weight of 215.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxyphenyl)tetrazol-2-yl]acetonitrile is sourced from PubChem (CID 646836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).