1-(5-bromo-2H-indazol-3-yl)propan-2-amine

C10H12BrN3 — CID 10131247

IUPAC1-(5-bromo-2H-indazol-3-yl)propan-2-amine
SMILESCC(N)Cc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C10H12BrN3/c1-6(12)4-10-8-5-7(11)2-3-9(8)13-14-10/h2-3,5-6H,4,12H2,1H3,(H,13,14)
InChIKeySGEUVUWZSAXGFY-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.22
Rot. Bonds2

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

1-(5-bromo-2H-indazol-3-yl)propan-2-amine (PubChem CID 10131247) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-(5-bromo-2H-indazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2H-indazol-3-yl)propan-2-amine
PubChem CID10131247
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name1-(5-bromo-2H-indazol-3-yl)propan-2-amine
SMILESCC(N)Cc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C10H12BrN3/c1-6(12)4-10-8-5-7(11)2-3-9(8)13-14-10/h2-3,5-6H,4,12H2,1H3,(H,13,14)
InChIKeySGEUVUWZSAXGFY-UHFFFAOYSA-N
XLogP2.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2H-indazol-3-yl)propan-2-amine?
The IUPAC name of 1-(5-bromo-2H-indazol-3-yl)propan-2-amine (CID 10131247) is 1-(5-bromo-2H-indazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2H-indazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2H-indazol-3-yl)propan-2-amine is CC(N)Cc1[nH]nc2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-2H-indazol-3-yl)propan-2-amine?
The InChIKey is SGEUVUWZSAXGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-6(12)4-10-8-5-7(11)2-3-9(8)13-14-10/h2-3,5-6H,4,12H2,1H3,(H,13,14).
What are the key properties of 1-(5-bromo-2H-indazol-3-yl)propan-2-amine?
1-(5-bromo-2H-indazol-3-yl)propan-2-amine has a molecular weight of 254.13 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2H-indazol-3-yl)propan-2-amine is sourced from PubChem (CID 10131247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).