3H-4,1,2-benzoxadiazine;hydrochloride

C7H7ClN2O — CID 142105710

IUPAC3H-4,1,2-benzoxadiazine;hydrochloride
SMILESCl.c1ccc2c(c1)N=NCO2
InChIInChI=1S/C7H6N2O.ClH/c1-2-4-7-6(3-1)9-8-5-10-7;/h1-4H,5H2;1H
InChIKeyUFMZIZKNGAURBI-UHFFFAOYSA-N
MW170.60 g/mol
LogP2.54
Rot. Bonds

About 3H-4,1,2-benzoxadiazine;hydrochloride

3H-4,1,2-benzoxadiazine;hydrochloride (PubChem CID 142105710) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 3H-4,1,2-benzoxadiazine;hydrochloride.

Molecular Properties

Compound Name3H-4,1,2-benzoxadiazine;hydrochloride
PubChem CID142105710
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name3H-4,1,2-benzoxadiazine;hydrochloride
SMILESCl.c1ccc2c(c1)N=NCO2
InChIInChI=1S/C7H6N2O.ClH/c1-2-4-7-6(3-1)9-8-5-10-7;/h1-4H,5H2;1H
InChIKeyUFMZIZKNGAURBI-UHFFFAOYSA-N
XLogP2.54
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3H-4,1,2-benzoxadiazine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

11,14,30,33-tetraoxa-2,4,21,23-tetrazapentacyclo[32.4.0.05,10.015,20.024,29]octatriaconta-1(38),2,3,5,7,9,15,17,19,21,22,24,26,28,34,36-hexadecaene
CID 129147747
2-methyl-3H-4,1,2-benzoxadiazin-2-ium
CID 20783896
4-methyl-2H-1,3-benzoxazine
CID 129065848
13,14-diphenyl-2,5-dioxa-12,15-diazatricyclo[14.4.0.06,11]icosa-1(20),6,8,10,12,14,16,18-octaene
CID 101367912
2-cyclohexyl-3H-4,1,2-benzoxadiazin-2-ium
CID 20783592
3H-indazole;methane
CID 161379696
2,3,4,5,6,7-hexahydro-1,8-benzodioxecine
CID 13197605
13-phenyl-11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene-13-thiol
CID 146426562
2-(2H-1,4-benzoxazin-3-yl)ethanol
CID 152746727
4-(1-hydroxy-4-pyridinylidene)-13,17-dioxa-2,3,5,6-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,5,7,9,11,18,20-octaen-15-ol
CID 100917779
benzene;1,3-benzodioxole
CID 158998325
1,3-benzodioxole;hydrobromide
CID 172797493

Frequently Asked Questions

What is the IUPAC name of 3H-4,1,2-benzoxadiazine;hydrochloride?
The IUPAC name of 3H-4,1,2-benzoxadiazine;hydrochloride (CID 142105710) is 3H-4,1,2-benzoxadiazine;hydrochloride.
What is the SMILES notation for 3H-4,1,2-benzoxadiazine;hydrochloride?
The canonical SMILES for 3H-4,1,2-benzoxadiazine;hydrochloride is Cl.c1ccc2c(c1)N=NCO2.
What is the InChIKey of 3H-4,1,2-benzoxadiazine;hydrochloride?
The InChIKey is UFMZIZKNGAURBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.ClH/c1-2-4-7-6(3-1)9-8-5-10-7;/h1-4H,5H2;1H.
What are the key properties of 3H-4,1,2-benzoxadiazine;hydrochloride?
3H-4,1,2-benzoxadiazine;hydrochloride has a molecular weight of 170.60 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-4,1,2-benzoxadiazine;hydrochloride is sourced from PubChem (CID 142105710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).