6-bromo-1-methylindazol-3-amine

C8H8BrN3 — CID 46835549

IUPAC6-bromo-1-methylindazol-3-amine
SMILESCn1nc(N)c2ccc(Br)cc21
InChIInChI=1S/C8H8BrN3/c1-12-7-4-5(9)2-3-6(7)8(10)11-12/h2-4H,1H3,(H2,10,11)
InChIKeySJCNMXPRXAGVMK-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.92
Rot. Bonds

About 6-bromo-1-methylindazol-3-amine

6-bromo-1-methylindazol-3-amine (PubChem CID 46835549) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 6-bromo-1-methylindazol-3-amine.

Molecular Properties

Compound Name6-bromo-1-methylindazol-3-amine
PubChem CID46835549
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name6-bromo-1-methylindazol-3-amine
SMILESCn1nc(N)c2ccc(Br)cc21
InChIInChI=1S/C8H8BrN3/c1-12-7-4-5(9)2-3-6(7)8(10)11-12/h2-4H,1H3,(H2,10,11)
InChIKeySJCNMXPRXAGVMK-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methylindazol-3-amine?
The IUPAC name of 6-bromo-1-methylindazol-3-amine (CID 46835549) is 6-bromo-1-methylindazol-3-amine.
What is the SMILES notation for 6-bromo-1-methylindazol-3-amine?
The canonical SMILES for 6-bromo-1-methylindazol-3-amine is Cn1nc(N)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-methylindazol-3-amine?
The InChIKey is SJCNMXPRXAGVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-12-7-4-5(9)2-3-6(7)8(10)11-12/h2-4H,1H3,(H2,10,11).
What are the key properties of 6-bromo-1-methylindazol-3-amine?
6-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 6-bromo-1-methylindazol-3-amine is sourced from PubChem (CID 46835549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).