6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine

C14H13BrN4 — CID 107489116

IUPAC6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine
SMILESCc1ccc(Br)cc1Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C14H13BrN4/c1-8-2-3-10(15)5-12(8)18-14-6-13-9(4-11(14)16)7-17-19-13/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyWJMBJIQGUCWYPY-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.96
Rot. Bonds2

About 6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine

6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine (PubChem CID 107489116) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine
PubChem CID107489116
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine
SMILESCc1ccc(Br)cc1Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C14H13BrN4/c1-8-2-3-10(15)5-12(8)18-14-6-13-9(4-11(14)16)7-17-19-13/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyWJMBJIQGUCWYPY-UHFFFAOYSA-N
XLogP3.96
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-(2,5-dibromophenyl)-1H-indazole-5,6-diamine
CID 107489373
6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine
CID 107490746
2-N-(5-bromo-2-methylphenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126652
6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine
CID 107490761
6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine
CID 107491236
N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62921443
2-N-(5-bromo-2-methylphenyl)-4,5-difluorobenzene-1,2-diamine
CID 112751793
6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine
CID 107490964
6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine
CID 107489222
6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine
CID 107488738
4-bromo-1-N-(5-bromo-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 66111692
6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine
CID 107606267

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine (CID 107489116) is 6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine is Cc1ccc(Br)cc1Nc1cc2[nH]ncc2cc1N.
What is the InChIKey of 6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine?
The InChIKey is WJMBJIQGUCWYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-8-2-3-10(15)5-12(8)18-14-6-13-9(4-11(14)16)7-17-19-13/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of 6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine?
6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine has a molecular weight of 317.19 g/mol, XLogP of 3.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107489116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).