5-methyl-2H-benzotriazole

C7H7N3 — CID 8705

IUPAC5-methyl-2H-benzotriazole
SMILESCc1ccc2n[nH]nc2c1
InChIInChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
InChIKeyLRUDIIUSNGCQKF-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.27
Rot. Bonds

About 5-methyl-2H-benzotriazole

5-methyl-2H-benzotriazole (PubChem CID 8705) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 5-methyl-2H-benzotriazole.

Molecular Properties

Compound Name5-methyl-2H-benzotriazole
PubChem CID8705
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name5-methyl-2H-benzotriazole
SMILESCc1ccc2n[nH]nc2c1
InChIInChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
InChIKeyLRUDIIUSNGCQKF-UHFFFAOYSA-N
XLogP1.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-benzotriazole?
The IUPAC name of 5-methyl-2H-benzotriazole (CID 8705) is 5-methyl-2H-benzotriazole.
What is the SMILES notation for 5-methyl-2H-benzotriazole?
The canonical SMILES for 5-methyl-2H-benzotriazole is Cc1ccc2n[nH]nc2c1.
What is the InChIKey of 5-methyl-2H-benzotriazole?
The InChIKey is LRUDIIUSNGCQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10).
What are the key properties of 5-methyl-2H-benzotriazole?
5-methyl-2H-benzotriazole has a molecular weight of 133.15 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-benzotriazole is sourced from PubChem (CID 8705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).