4-(5-methyltetrazol-2-yl)benzonitrile

C9H7N5 — CID 129139556

IUPAC4-(5-methyltetrazol-2-yl)benzonitrile
SMILESCc1nnn(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C9H7N5/c1-7-11-13-14(12-7)9-4-2-8(6-10)3-5-9/h2-5H,1H3
InChIKeyWBFPOSPAXDMUGM-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.84
Rot. Bonds1

About 4-(5-methyltetrazol-2-yl)benzonitrile

4-(5-methyltetrazol-2-yl)benzonitrile (PubChem CID 129139556) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 4-(5-methyltetrazol-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-methyltetrazol-2-yl)benzonitrile
PubChem CID129139556
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name4-(5-methyltetrazol-2-yl)benzonitrile
SMILESCc1nnn(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C9H7N5/c1-7-11-13-14(12-7)9-4-2-8(6-10)3-5-9/h2-5H,1H3
InChIKeyWBFPOSPAXDMUGM-UHFFFAOYSA-N
XLogP0.84
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.84
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)benzonitrile?
The IUPAC name of 4-(5-methyltetrazol-2-yl)benzonitrile (CID 129139556) is 4-(5-methyltetrazol-2-yl)benzonitrile.
What is the SMILES notation for 4-(5-methyltetrazol-2-yl)benzonitrile?
The canonical SMILES for 4-(5-methyltetrazol-2-yl)benzonitrile is Cc1nnn(-c2ccc(C#N)cc2)n1.
What is the InChIKey of 4-(5-methyltetrazol-2-yl)benzonitrile?
The InChIKey is WBFPOSPAXDMUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c1-7-11-13-14(12-7)9-4-2-8(6-10)3-5-9/h2-5H,1H3.
What are the key properties of 4-(5-methyltetrazol-2-yl)benzonitrile?
4-(5-methyltetrazol-2-yl)benzonitrile has a molecular weight of 185.19 g/mol, XLogP of 0.84, 1 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)benzonitrile is sourced from PubChem (CID 129139556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).