2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine

C9H14BrN3 — CID 83912829

IUPAC2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine
SMILESNCCC1CCCc2[nH]nc(Br)c21
InChIInChI=1S/C9H14BrN3/c10-9-8-6(4-5-11)2-1-3-7(8)12-13-9/h6H,1-5,11H2,(H,12,13)
InChIKeyOSULCOJPODYTAL-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.94
Rot. Bonds2

About 2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine

2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine (PubChem CID 83912829) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is 2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine
PubChem CID83912829
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine
SMILESNCCC1CCCc2[nH]nc(Br)c21
InChIInChI=1S/C9H14BrN3/c10-9-8-6(4-5-11)2-1-3-7(8)12-13-9/h6H,1-5,11H2,(H,12,13)
InChIKeyOSULCOJPODYTAL-UHFFFAOYSA-N
XLogP1.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine (CID 83912829) is 2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine is NCCC1CCCc2[nH]nc(Br)c21.
What is the InChIKey of 2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine?
The InChIKey is OSULCOJPODYTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c10-9-8-6(4-5-11)2-1-3-7(8)12-13-9/h6H,1-5,11H2,(H,12,13).
What are the key properties of 2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine?
2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine has a molecular weight of 244.14 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-4-yl)ethanamine is sourced from PubChem (CID 83912829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).