3-(5-phenyltetrazol-2-yl)propanenitrile

C10H9N5 — CID 14359651

IUPAC3-(5-phenyltetrazol-2-yl)propanenitrile
SMILESN#CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H9N5/c11-7-4-8-15-13-10(12-14-15)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChIKeyUOMGIELJQUNAPC-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.25
Rot. Bonds3

About 3-(5-phenyltetrazol-2-yl)propanenitrile

3-(5-phenyltetrazol-2-yl)propanenitrile (PubChem CID 14359651) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-(5-phenyltetrazol-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(5-phenyltetrazol-2-yl)propanenitrile
PubChem CID14359651
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name3-(5-phenyltetrazol-2-yl)propanenitrile
SMILESN#CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H9N5/c11-7-4-8-15-13-10(12-14-15)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChIKeyUOMGIELJQUNAPC-UHFFFAOYSA-N
XLogP1.25
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyltetrazol-2-yl)propanenitrile?
The IUPAC name of 3-(5-phenyltetrazol-2-yl)propanenitrile (CID 14359651) is 3-(5-phenyltetrazol-2-yl)propanenitrile.
What is the SMILES notation for 3-(5-phenyltetrazol-2-yl)propanenitrile?
The canonical SMILES for 3-(5-phenyltetrazol-2-yl)propanenitrile is N#CCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 3-(5-phenyltetrazol-2-yl)propanenitrile?
The InChIKey is UOMGIELJQUNAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-7-4-8-15-13-10(12-14-15)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2.
What are the key properties of 3-(5-phenyltetrazol-2-yl)propanenitrile?
3-(5-phenyltetrazol-2-yl)propanenitrile has a molecular weight of 199.22 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyltetrazol-2-yl)propanenitrile is sourced from PubChem (CID 14359651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).