5-bromo-1-methylindazol-3-amine

C8H8BrN3 — CID 26369215

IUPAC5-bromo-1-methylindazol-3-amine
SMILESCn1nc(N)c2cc(Br)ccc21
InChIInChI=1S/C8H8BrN3/c1-12-7-3-2-5(9)4-6(7)8(10)11-12/h2-4H,1H3,(H2,10,11)
InChIKeyBKBSBRJIGMVBFM-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.92
Rot. Bonds

About 5-bromo-1-methylindazol-3-amine

5-bromo-1-methylindazol-3-amine (PubChem CID 26369215) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 5-bromo-1-methylindazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-methylindazol-3-amine
PubChem CID26369215
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name5-bromo-1-methylindazol-3-amine
SMILESCn1nc(N)c2cc(Br)ccc21
InChIInChI=1S/C8H8BrN3/c1-12-7-3-2-5(9)4-6(7)8(10)11-12/h2-4H,1H3,(H2,10,11)
InChIKeyBKBSBRJIGMVBFM-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-5-bromo-1H-indazole
CID 817910
Pyrazol-5-amine, 1-benzyl-3-(3-bromophenyl)-
CID 563996
2-Methyl-2H-indazol-3-amine
CID 590075
1H-Indazol-3-amine, 1-(3-(2,6-dimethyl-1-piperidinyl)propyl)-
CID 3021362
1H-Indazol-3-amine, 1-(3-(1-piperidinyl)butyl)-
CID 3021373
1-Methyl-1H-indazol-3-amine
CID 12291317
3-Bromo-1-methyl-1H-indazole
CID 22419368
6-Bromo-3-iodo-1-methyl-1H-indazole
CID 76846143
1-Ethyl-1H-Indazol-3-Amine
CID 28064807
1-(3-Amino-6-bromoindazol-1-yl)ethanone
CID 49830812
3-(4-Bromophenyl)-1-methyl-1H-pyrazol-5-amine
CID 5337859
1-(Cyclopropylmethyl)-1H-indazol-3-amine
CID 28064646

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylindazol-3-amine?
The IUPAC name of 5-bromo-1-methylindazol-3-amine (CID 26369215) is 5-bromo-1-methylindazol-3-amine.
What is the SMILES notation for 5-bromo-1-methylindazol-3-amine?
The canonical SMILES for 5-bromo-1-methylindazol-3-amine is Cn1nc(N)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-methylindazol-3-amine?
The InChIKey is BKBSBRJIGMVBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-12-7-3-2-5(9)4-6(7)8(10)11-12/h2-4H,1H3,(H2,10,11).
What are the key properties of 5-bromo-1-methylindazol-3-amine?
5-bromo-1-methylindazol-3-amine has a molecular weight of 226.08 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methylindazol-3-amine is sourced from PubChem (CID 26369215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).