7-methylbenzotriazol-1-amine

C7H8N4 — CID 10866492

IUPAC7-methylbenzotriazol-1-amine
SMILESCc1cccc2nnn(N)c12
InChIInChI=1S/C7H8N4/c1-5-3-2-4-6-7(5)11(8)10-9-6/h2-4H,8H2,1H3
InChIKeyKADKLKFARRFTOW-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.45
Rot. Bonds

About 7-methylbenzotriazol-1-amine

7-methylbenzotriazol-1-amine (PubChem CID 10866492) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 7-methylbenzotriazol-1-amine.

Molecular Properties

Compound Name7-methylbenzotriazol-1-amine
PubChem CID10866492
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name7-methylbenzotriazol-1-amine
SMILESCc1cccc2nnn(N)c12
InChIInChI=1S/C7H8N4/c1-5-3-2-4-6-7(5)11(8)10-9-6/h2-4H,8H2,1H3
InChIKeyKADKLKFARRFTOW-UHFFFAOYSA-N
XLogP0.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methylbenzotriazol-1-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 7-methylbenzotriazol-1-amine?
The IUPAC name of 7-methylbenzotriazol-1-amine (CID 10866492) is 7-methylbenzotriazol-1-amine.
What is the SMILES notation for 7-methylbenzotriazol-1-amine?
The canonical SMILES for 7-methylbenzotriazol-1-amine is Cc1cccc2nnn(N)c12.
What is the InChIKey of 7-methylbenzotriazol-1-amine?
The InChIKey is KADKLKFARRFTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-5-3-2-4-6-7(5)11(8)10-9-6/h2-4H,8H2,1H3.
What are the key properties of 7-methylbenzotriazol-1-amine?
7-methylbenzotriazol-1-amine has a molecular weight of 148.17 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylbenzotriazol-1-amine is sourced from PubChem (CID 10866492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).