5-methyl-2H-benzotriazol-4-amine

C7H8N4 — CID 15122285

IUPAC5-methyl-2H-benzotriazol-4-amine
SMILESCc1ccc2n[nH]nc2c1N
InChIInChI=1S/C7H8N4/c1-4-2-3-5-7(6(4)8)10-11-9-5/h2-3H,8H2,1H3,(H,9,10,11)
InChIKeyPSSNUWSDXCWZDV-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.85
Rot. Bonds

About 5-methyl-2H-benzotriazol-4-amine

5-methyl-2H-benzotriazol-4-amine (PubChem CID 15122285) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 5-methyl-2H-benzotriazol-4-amine.

Molecular Properties

Compound Name5-methyl-2H-benzotriazol-4-amine
PubChem CID15122285
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name5-methyl-2H-benzotriazol-4-amine
SMILESCc1ccc2n[nH]nc2c1N
InChIInChI=1S/C7H8N4/c1-4-2-3-5-7(6(4)8)10-11-9-5/h2-3H,8H2,1H3,(H,9,10,11)
InChIKeyPSSNUWSDXCWZDV-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-benzotriazol-4-amine?
The IUPAC name of 5-methyl-2H-benzotriazol-4-amine (CID 15122285) is 5-methyl-2H-benzotriazol-4-amine.
What is the SMILES notation for 5-methyl-2H-benzotriazol-4-amine?
The canonical SMILES for 5-methyl-2H-benzotriazol-4-amine is Cc1ccc2n[nH]nc2c1N.
What is the InChIKey of 5-methyl-2H-benzotriazol-4-amine?
The InChIKey is PSSNUWSDXCWZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-4-2-3-5-7(6(4)8)10-11-9-5/h2-3H,8H2,1H3,(H,9,10,11).
What are the key properties of 5-methyl-2H-benzotriazol-4-amine?
5-methyl-2H-benzotriazol-4-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 5-methyl-2H-benzotriazol-4-amine is sourced from PubChem (CID 15122285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).