5-methylidenebenzotriazole

C7H5N3 — CID 139791384

IUPAC5-methylidenebenzotriazole
SMILESC=c1ccc2c(c1)N=NN=2
InChIInChI=1S/C7H5N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H2
InChIKeyVZJCNPXOVQDIMG-UHFFFAOYSA-N
MW131.14 g/mol
LogP0.73
Rot. Bonds

About 5-methylidenebenzotriazole

5-methylidenebenzotriazole (PubChem CID 139791384) has the molecular formula C7H5N3 and a molecular weight of 131.14 g/mol. Its IUPAC name is 5-methylidenebenzotriazole.

Molecular Properties

Compound Name5-methylidenebenzotriazole
PubChem CID139791384
Molecular FormulaC7H5N3
Molecular Weight131.14 g/mol
Exact Mass131.05
IUPAC Name5-methylidenebenzotriazole
SMILESC=c1ccc2c(c1)N=NN=2
InChIInChI=1S/C7H5N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H2
InChIKeyVZJCNPXOVQDIMG-UHFFFAOYSA-N
XLogP0.73
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylidenebenzotriazole?
The IUPAC name of 5-methylidenebenzotriazole (CID 139791384) is 5-methylidenebenzotriazole.
What is the SMILES notation for 5-methylidenebenzotriazole?
The canonical SMILES for 5-methylidenebenzotriazole is C=c1ccc2c(c1)N=NN=2.
What is the InChIKey of 5-methylidenebenzotriazole?
The InChIKey is VZJCNPXOVQDIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H2.
What are the key properties of 5-methylidenebenzotriazole?
5-methylidenebenzotriazole has a molecular weight of 131.14 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenebenzotriazole is sourced from PubChem (CID 139791384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).