3-(3-bromo-2-methylindazol-5-yl)propan-1-amine

C11H14BrN3 — CID 84729937

IUPAC3-(3-bromo-2-methylindazol-5-yl)propan-1-amine
SMILESCn1nc2ccc(CCCN)cc2c1Br
InChIInChI=1S/C11H14BrN3/c1-15-11(12)9-7-8(3-2-6-13)4-5-10(9)14-15/h4-5,7H,2-3,6,13H2,1H3
InChIKeyJIWRKYHZJJYPCO-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.23
Rot. Bonds3

About 3-(3-bromo-2-methylindazol-5-yl)propan-1-amine

3-(3-bromo-2-methylindazol-5-yl)propan-1-amine (PubChem CID 84729937) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 3-(3-bromo-2-methylindazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-2-methylindazol-5-yl)propan-1-amine
PubChem CID84729937
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name3-(3-bromo-2-methylindazol-5-yl)propan-1-amine
SMILESCn1nc2ccc(CCCN)cc2c1Br
InChIInChI=1S/C11H14BrN3/c1-15-11(12)9-7-8(3-2-6-13)4-5-10(9)14-15/h4-5,7H,2-3,6,13H2,1H3
InChIKeyJIWRKYHZJJYPCO-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-methylindazol-5-yl)propan-1-amine?
The IUPAC name of 3-(3-bromo-2-methylindazol-5-yl)propan-1-amine (CID 84729937) is 3-(3-bromo-2-methylindazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(3-bromo-2-methylindazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(3-bromo-2-methylindazol-5-yl)propan-1-amine is Cn1nc2ccc(CCCN)cc2c1Br.
What is the InChIKey of 3-(3-bromo-2-methylindazol-5-yl)propan-1-amine?
The InChIKey is JIWRKYHZJJYPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-15-11(12)9-7-8(3-2-6-13)4-5-10(9)14-15/h4-5,7H,2-3,6,13H2,1H3.
What are the key properties of 3-(3-bromo-2-methylindazol-5-yl)propan-1-amine?
3-(3-bromo-2-methylindazol-5-yl)propan-1-amine has a molecular weight of 268.16 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-methylindazol-5-yl)propan-1-amine is sourced from PubChem (CID 84729937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).