2,5-dimethylbenzotriazole

C8H9N3 — CID 14835678

IUPAC2,5-dimethylbenzotriazole
SMILESCc1ccc2nn(C)nc2c1
InChIInChI=1S/C8H9N3/c1-6-3-4-7-8(5-6)10-11(2)9-7/h3-5H,1-2H3
InChIKeyXFMKHBNWJKZGDB-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.28
Rot. Bonds

About 2,5-dimethylbenzotriazole

2,5-dimethylbenzotriazole (PubChem CID 14835678) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2,5-dimethylbenzotriazole.

Molecular Properties

Compound Name2,5-dimethylbenzotriazole
PubChem CID14835678
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2,5-dimethylbenzotriazole
SMILESCc1ccc2nn(C)nc2c1
InChIInChI=1S/C8H9N3/c1-6-3-4-7-8(5-6)10-11(2)9-7/h3-5H,1-2H3
InChIKeyXFMKHBNWJKZGDB-UHFFFAOYSA-N
XLogP1.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-1H-benzotriazole
CID 8705
4-Methyl-1H-benzotriazole
CID 122499
1-Hydroxy-6-(trifluoromethyl)benzotriazole
CID 688194
5,6-Dimethyl-2,1,3-benzoselenadiazole
CID 96655
5-Methylpiazselenol
CID 96824
Sodium tolyltriazole
CID 23687327
4-methyl-1H-1,2,3-benzotriazole; 6-methyl-1H-1,2,3-benzotriazole
CID 44630380
5,6-dimethyl-1H-benzotriazole
CID 77849
alpha-Methylbenzylaminobenzotriazole
CID 119340
6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine
CID 736271
2-Methyl-1,2,3-benzotriazole
CID 85498
1H-naphtho(2,3-d)triazole
CID 123045

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylbenzotriazole?
The IUPAC name of 2,5-dimethylbenzotriazole (CID 14835678) is 2,5-dimethylbenzotriazole.
What is the SMILES notation for 2,5-dimethylbenzotriazole?
The canonical SMILES for 2,5-dimethylbenzotriazole is Cc1ccc2nn(C)nc2c1.
What is the InChIKey of 2,5-dimethylbenzotriazole?
The InChIKey is XFMKHBNWJKZGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-6-3-4-7-8(5-6)10-11(2)9-7/h3-5H,1-2H3.
What are the key properties of 2,5-dimethylbenzotriazole?
2,5-dimethylbenzotriazole has a molecular weight of 147.18 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylbenzotriazole is sourced from PubChem (CID 14835678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).