3-bromo-N-methyl-2H-indazol-5-amine

C8H8BrN3 — CID 142979662

IUPAC3-bromo-N-methyl-2H-indazol-5-amine
SMILESCNc1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C8H8BrN3/c1-10-5-2-3-7-6(4-5)8(9)12-11-7/h2-4,10H,1H3,(H,11,12)
InChIKeyJVQUGWFPEQWEPL-UHFFFAOYSA-N
MW226.08 g/mol
LogP2.37
Rot. Bonds1

About 3-bromo-N-methyl-2H-indazol-5-amine

3-bromo-N-methyl-2H-indazol-5-amine (PubChem CID 142979662) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is 3-bromo-N-methyl-2H-indazol-5-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-2H-indazol-5-amine
PubChem CID142979662
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Name3-bromo-N-methyl-2H-indazol-5-amine
SMILESCNc1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C8H8BrN3/c1-10-5-2-3-7-6(4-5)8(9)12-11-7/h2-4,10H,1H3,(H,11,12)
InChIKeyJVQUGWFPEQWEPL-UHFFFAOYSA-N
XLogP2.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-2H-indazol-5-amine?
The IUPAC name of 3-bromo-N-methyl-2H-indazol-5-amine (CID 142979662) is 3-bromo-N-methyl-2H-indazol-5-amine.
What is the SMILES notation for 3-bromo-N-methyl-2H-indazol-5-amine?
The canonical SMILES for 3-bromo-N-methyl-2H-indazol-5-amine is CNc1ccc2n[nH]c(Br)c2c1.
What is the InChIKey of 3-bromo-N-methyl-2H-indazol-5-amine?
The InChIKey is JVQUGWFPEQWEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3/c1-10-5-2-3-7-6(4-5)8(9)12-11-7/h2-4,10H,1H3,(H,11,12).
What are the key properties of 3-bromo-N-methyl-2H-indazol-5-amine?
3-bromo-N-methyl-2H-indazol-5-amine has a molecular weight of 226.08 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-2H-indazol-5-amine is sourced from PubChem (CID 142979662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).