1-methylbenzotriazole

C7H7N3 — CID 25902

IUPAC1-methylbenzotriazole
SMILESCn1nnc2ccccc21
InChIInChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3
InChIKeyHXQHRUJXQJEGER-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.97
Rot. Bonds

About 1-methylbenzotriazole

1-methylbenzotriazole (PubChem CID 25902) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 1-methylbenzotriazole.

Molecular Properties

Compound Name1-methylbenzotriazole
PubChem CID25902
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name1-methylbenzotriazole
SMILESCn1nnc2ccccc21
InChIInChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3
InChIKeyHXQHRUJXQJEGER-UHFFFAOYSA-N
XLogP0.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylbenzotriazole?
The IUPAC name of 1-methylbenzotriazole (CID 25902) is 1-methylbenzotriazole.
What is the SMILES notation for 1-methylbenzotriazole?
The canonical SMILES for 1-methylbenzotriazole is Cn1nnc2ccccc21.
What is the InChIKey of 1-methylbenzotriazole?
The InChIKey is HXQHRUJXQJEGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3.
What are the key properties of 1-methylbenzotriazole?
1-methylbenzotriazole has a molecular weight of 133.15 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbenzotriazole is sourced from PubChem (CID 25902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).