6-bromo-1H-indazole-3-carbohydrazide

C8H7BrN4O — CID 130118976

IUPAC6-bromo-1H-indazole-3-carbohydrazide
SMILESNNC(=O)c1n[nH]c2cc(Br)ccc12
InChIInChI=1S/C8H7BrN4O/c9-4-1-2-5-6(3-4)12-13-7(5)8(14)11-10/h1-3H,10H2,(H,11,14)(H,12,13)
InChIKeyZPLUVGCIAWDBPG-UHFFFAOYSA-N
MW255.07 g/mol
LogP0.93
Rot. Bonds1

About 6-bromo-1H-indazole-3-carbohydrazide

6-bromo-1H-indazole-3-carbohydrazide (PubChem CID 130118976) has the molecular formula C8H7BrN4O and a molecular weight of 255.07 g/mol. Its IUPAC name is 6-bromo-1H-indazole-3-carbohydrazide.

Molecular Properties

Compound Name6-bromo-1H-indazole-3-carbohydrazide
PubChem CID130118976
Molecular FormulaC8H7BrN4O
Molecular Weight255.07 g/mol
Exact Mass253.98
IUPAC Name6-bromo-1H-indazole-3-carbohydrazide
SMILESNNC(=O)c1n[nH]c2cc(Br)ccc12
InChIInChI=1S/C8H7BrN4O/c9-4-1-2-5-6(3-4)12-13-7(5)8(14)11-10/h1-3H,10H2,(H,11,14)(H,12,13)
InChIKeyZPLUVGCIAWDBPG-UHFFFAOYSA-N
XLogP0.93
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide
CID 120504693
6-bromo-1H-indazole-3-carboxylic acid;methyl 6-bromo-1H-indazole-3-carboxylate;molecular hydrogen
CID 159296138
2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid
CID 84712811
3-amino-1H-indazole-6-carbohydrazide
CID 134128554
5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide
CID 120831007
5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide
CID 166150369
5-bromo-1H-indazole-3-carboxylate
CID 7157357
N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide
CID 55976013
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858960
2-(7-bromo-4-oxo-1H-cinnolin-3-yl)acetic acid
CID 163323332
5-bromo-N-(1H-indazol-6-yl)-1H-indazole-3-carboxamide
CID 117073881
methyl (2S)-2-[(5-bromo-1H-indazole-3-carbonyl)amino]-3,3-dimethylbutanoate
CID 165362085

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indazole-3-carbohydrazide?
The IUPAC name of 6-bromo-1H-indazole-3-carbohydrazide (CID 130118976) is 6-bromo-1H-indazole-3-carbohydrazide.
What is the SMILES notation for 6-bromo-1H-indazole-3-carbohydrazide?
The canonical SMILES for 6-bromo-1H-indazole-3-carbohydrazide is NNC(=O)c1n[nH]c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1H-indazole-3-carbohydrazide?
The InChIKey is ZPLUVGCIAWDBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c9-4-1-2-5-6(3-4)12-13-7(5)8(14)11-10/h1-3H,10H2,(H,11,14)(H,12,13).
What are the key properties of 6-bromo-1H-indazole-3-carbohydrazide?
6-bromo-1H-indazole-3-carbohydrazide has a molecular weight of 255.07 g/mol, XLogP of 0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-indazole-3-carbohydrazide is sourced from PubChem (CID 130118976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).