2-(5-phenyltetrazol-2-yl)acetonitrile

C9H7N5 — CID 14415260

IUPAC2-(5-phenyltetrazol-2-yl)acetonitrile
SMILESN#CCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C9H7N5/c10-6-7-14-12-9(11-13-14)8-4-2-1-3-5-8/h1-5H,7H2
InChIKeyNFIHCVIBYVUHFV-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.86
Rot. Bonds2

About 2-(5-phenyltetrazol-2-yl)acetonitrile

2-(5-phenyltetrazol-2-yl)acetonitrile (PubChem CID 14415260) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)acetonitrile
PubChem CID14415260
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name2-(5-phenyltetrazol-2-yl)acetonitrile
SMILESN#CCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C9H7N5/c10-6-7-14-12-9(11-13-14)8-4-2-1-3-5-8/h1-5H,7H2
InChIKeyNFIHCVIBYVUHFV-UHFFFAOYSA-N
XLogP0.86
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)acetonitrile?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)acetonitrile (CID 14415260) is 2-(5-phenyltetrazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)acetonitrile?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)acetonitrile is N#CCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)acetonitrile?
The InChIKey is NFIHCVIBYVUHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c10-6-7-14-12-9(11-13-14)8-4-2-1-3-5-8/h1-5H,7H2.
What are the key properties of 2-(5-phenyltetrazol-2-yl)acetonitrile?
2-(5-phenyltetrazol-2-yl)acetonitrile has a molecular weight of 185.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)acetonitrile is sourced from PubChem (CID 14415260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).