6-methyl-2H-benzotriazol-5-amine

C7H8N4 — CID 55291516

IUPAC6-methyl-2H-benzotriazol-5-amine
SMILESCc1cc2n[nH]nc2cc1N
InChIInChI=1S/C7H8N4/c1-4-2-6-7(3-5(4)8)10-11-9-6/h2-3H,8H2,1H3,(H,9,10,11)
InChIKeyUCDCXQAVVCKRAM-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.85
Rot. Bonds

About 6-methyl-2H-benzotriazol-5-amine

6-methyl-2H-benzotriazol-5-amine (PubChem CID 55291516) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 6-methyl-2H-benzotriazol-5-amine.

Molecular Properties

Compound Name6-methyl-2H-benzotriazol-5-amine
PubChem CID55291516
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name6-methyl-2H-benzotriazol-5-amine
SMILESCc1cc2n[nH]nc2cc1N
InChIInChI=1S/C7H8N4/c1-4-2-6-7(3-5(4)8)10-11-9-6/h2-3H,8H2,1H3,(H,9,10,11)
InChIKeyUCDCXQAVVCKRAM-UHFFFAOYSA-N
XLogP0.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-methyl-2H-benzotriazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2H-benzotriazol-5-amine?
The IUPAC name of 6-methyl-2H-benzotriazol-5-amine (CID 55291516) is 6-methyl-2H-benzotriazol-5-amine.
What is the SMILES notation for 6-methyl-2H-benzotriazol-5-amine?
The canonical SMILES for 6-methyl-2H-benzotriazol-5-amine is Cc1cc2n[nH]nc2cc1N.
What is the InChIKey of 6-methyl-2H-benzotriazol-5-amine?
The InChIKey is UCDCXQAVVCKRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-4-2-6-7(3-5(4)8)10-11-9-6/h2-3H,8H2,1H3,(H,9,10,11).
What are the key properties of 6-methyl-2H-benzotriazol-5-amine?
6-methyl-2H-benzotriazol-5-amine has a molecular weight of 148.17 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2H-benzotriazol-5-amine is sourced from PubChem (CID 55291516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).