2-methyl-3H-benzotriazol-1-amine

C7H10N4 — CID 175431302

IUPAC2-methyl-3H-benzotriazol-1-amine
SMILESCN1Nc2ccccc2N1N
InChIInChI=1S/C7H10N4/c1-10-9-6-4-2-3-5-7(6)11(10)8/h2-5,9H,8H2,1H3
InChIKeyHXOWYPGMYYDEDU-UHFFFAOYSA-N
MW150.19 g/mol
LogP0.55
Rot. Bonds

About 2-methyl-3H-benzotriazol-1-amine

2-methyl-3H-benzotriazol-1-amine (PubChem CID 175431302) has the molecular formula C7H10N4 and a molecular weight of 150.19 g/mol. Its IUPAC name is 2-methyl-3H-benzotriazol-1-amine.

Molecular Properties

Compound Name2-methyl-3H-benzotriazol-1-amine
PubChem CID175431302
Molecular FormulaC7H10N4
Molecular Weight150.19 g/mol
Exact Mass150.09
IUPAC Name2-methyl-3H-benzotriazol-1-amine
SMILESCN1Nc2ccccc2N1N
InChIInChI=1S/C7H10N4/c1-10-9-6-4-2-3-5-7(6)11(10)8/h2-5,9H,8H2,1H3
InChIKeyHXOWYPGMYYDEDU-UHFFFAOYSA-N
XLogP0.55
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-benzotriazol-1-amine?
The IUPAC name of 2-methyl-3H-benzotriazol-1-amine (CID 175431302) is 2-methyl-3H-benzotriazol-1-amine.
What is the SMILES notation for 2-methyl-3H-benzotriazol-1-amine?
The canonical SMILES for 2-methyl-3H-benzotriazol-1-amine is CN1Nc2ccccc2N1N.
What is the InChIKey of 2-methyl-3H-benzotriazol-1-amine?
The InChIKey is HXOWYPGMYYDEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-10-9-6-4-2-3-5-7(6)11(10)8/h2-5,9H,8H2,1H3.
What are the key properties of 2-methyl-3H-benzotriazol-1-amine?
2-methyl-3H-benzotriazol-1-amine has a molecular weight of 150.19 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-benzotriazol-1-amine is sourced from PubChem (CID 175431302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).