3-methylbenzotriazol-5-amine

C7H8N4 — CID 590468

IUPAC3-methylbenzotriazol-5-amine
SMILESCn1nnc2ccc(N)cc21
InChIInChI=1S/C7H8N4/c1-11-7-4-5(8)2-3-6(7)9-10-11/h2-4H,8H2,1H3
InChIKeyILZYOUAFELGUSF-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.55
Rot. Bonds

About 3-methylbenzotriazol-5-amine

3-methylbenzotriazol-5-amine (PubChem CID 590468) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 3-methylbenzotriazol-5-amine.

Molecular Properties

Compound Name3-methylbenzotriazol-5-amine
PubChem CID590468
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name3-methylbenzotriazol-5-amine
SMILESCn1nnc2ccc(N)cc21
InChIInChI=1S/C7H8N4/c1-11-7-4-5(8)2-3-6(7)9-10-11/h2-4H,8H2,1H3
InChIKeyILZYOUAFELGUSF-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methylbenzotriazole
CID 25902
1H-Benzotriazol-6-amine
CID 76844
1-Ethylbenzotriazole
CID 27939
1H-Benzotriazole-1-methanol
CID 224169
2-(1H-1,2,3-benzotriazol-1-yl)acetonitrile
CID 786302
(1H-1,2,3-Benzotriazol-1-ylmethyl)dimethylamine
CID 825297
1-Phenyl-1H-benzo[d][1,2,3]triazol-5-amine
CID 231705
3-(1H-benzotriazol-1-yl)propanenitrile
CID 243414
1-(Methoxymethyl)-1H-benzotriazole
CID 542390
1-Propargyl-1H-benzotriazole
CID 727001
1-(Chloromethyl)-1H-benzotriazole
CID 3328222
2-[4-(diethylamino)phenyl]-2H-1,2,3-benzotriazol-5-amine
CID 14349221

Frequently Asked Questions

What is the IUPAC name of 3-methylbenzotriazol-5-amine?
The IUPAC name of 3-methylbenzotriazol-5-amine (CID 590468) is 3-methylbenzotriazol-5-amine.
What is the SMILES notation for 3-methylbenzotriazol-5-amine?
The canonical SMILES for 3-methylbenzotriazol-5-amine is Cn1nnc2ccc(N)cc21.
What is the InChIKey of 3-methylbenzotriazol-5-amine?
The InChIKey is ILZYOUAFELGUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-11-7-4-5(8)2-3-6(7)9-10-11/h2-4H,8H2,1H3.
What are the key properties of 3-methylbenzotriazol-5-amine?
3-methylbenzotriazol-5-amine has a molecular weight of 148.17 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbenzotriazol-5-amine is sourced from PubChem (CID 590468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).