7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine

C8H9ClN4O — CID 2038551

IUPAC7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine
SMILESCN(C)c1cc(Cl)c2nonc2c1N
InChIInChI=1S/C8H9ClN4O/c1-13(2)5-3-4(9)7-8(6(5)10)12-14-11-7/h3H,10H2,1-2H3
InChIKeyUZRWNDUAEJYSCT-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.52
Rot. Bonds1

About 7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine

7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine (PubChem CID 2038551) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine.

Molecular Properties

Compound Name7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine
PubChem CID2038551
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine
SMILESCN(C)c1cc(Cl)c2nonc2c1N
InChIInChI=1S/C8H9ClN4O/c1-13(2)5-3-4(9)7-8(6(5)10)12-14-11-7/h3H,10H2,1-2H3
InChIKeyUZRWNDUAEJYSCT-UHFFFAOYSA-N
XLogP1.52
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine
CID 3128197
7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-amine
CID 2735302
7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine
CID 1939012
HIF-2alpha-IN-3
CID 2836622
N-(3-chlorophenyl)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine
CID 71575455
2-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol
CID 2772107
N5,N5-diethylbenzo[c][1,2,5]oxadiazole-4,5-diamine
CID 666403
7-Chloro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-4-amine
CID 667215
N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 356304
5-N-(3-chloro-5-fluorophenyl)-2,1,3-benzoxadiazole-4,5-diamine
CID 71575660
N5,N5-dimethyl-2,1,3-benzoxadiazole-4,5-diamine
CID 666040
7-Chloro-5-(4-morpholinyl)-2,1,3-benzoxadiazol-4-amine
CID 666894

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine?
The IUPAC name of 7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine (CID 2038551) is 7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine.
What is the SMILES notation for 7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine?
The canonical SMILES for 7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine is CN(C)c1cc(Cl)c2nonc2c1N.
What is the InChIKey of 7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine?
The InChIKey is UZRWNDUAEJYSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c1-13(2)5-3-4(9)7-8(6(5)10)12-14-11-7/h3H,10H2,1-2H3.
What are the key properties of 7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine?
7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine has a molecular weight of 212.64 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-N,5-N-dimethyl-2,1,3-benzoxadiazole-4,5-diamine is sourced from PubChem (CID 2038551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).