4-[(5-methyltetrazol-2-yl)methyl]benzonitrile

C10H9N5 — CID 142243582

IUPAC4-[(5-methyltetrazol-2-yl)methyl]benzonitrile
SMILESCc1nnn(Cc2ccc(C#N)cc2)n1
InChIInChI=1S/C10H9N5/c1-8-12-14-15(13-8)7-10-4-2-9(6-11)3-5-10/h2-5H,7H2,1H3
InChIKeyISJFJGXMLUCRNF-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.90
Rot. Bonds2

About 4-[(5-methyltetrazol-2-yl)methyl]benzonitrile

4-[(5-methyltetrazol-2-yl)methyl]benzonitrile (PubChem CID 142243582) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-[(5-methyltetrazol-2-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(5-methyltetrazol-2-yl)methyl]benzonitrile
PubChem CID142243582
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name4-[(5-methyltetrazol-2-yl)methyl]benzonitrile
SMILESCc1nnn(Cc2ccc(C#N)cc2)n1
InChIInChI=1S/C10H9N5/c1-8-12-14-15(13-8)7-10-4-2-9(6-11)3-5-10/h2-5H,7H2,1H3
InChIKeyISJFJGXMLUCRNF-UHFFFAOYSA-N
XLogP0.90
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyltetrazol-2-yl)methyl]benzonitrile?
The IUPAC name of 4-[(5-methyltetrazol-2-yl)methyl]benzonitrile (CID 142243582) is 4-[(5-methyltetrazol-2-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(5-methyltetrazol-2-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(5-methyltetrazol-2-yl)methyl]benzonitrile is Cc1nnn(Cc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[(5-methyltetrazol-2-yl)methyl]benzonitrile?
The InChIKey is ISJFJGXMLUCRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-8-12-14-15(13-8)7-10-4-2-9(6-11)3-5-10/h2-5H,7H2,1H3.
What are the key properties of 4-[(5-methyltetrazol-2-yl)methyl]benzonitrile?
4-[(5-methyltetrazol-2-yl)methyl]benzonitrile has a molecular weight of 199.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyltetrazol-2-yl)methyl]benzonitrile is sourced from PubChem (CID 142243582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).