7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol

C9H14BrN3O — CID 83913326

IUPAC7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol
SMILESNCCC1(O)CCCc2c(Br)n[nH]c21
InChIInChI=1S/C9H14BrN3O/c10-8-6-2-1-3-9(14,4-5-11)7(6)12-13-8/h14H,1-5,11H2,(H,12,13)
InChIKeyTXQIBBHWHADHJQ-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.04
Rot. Bonds2

About 7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol

7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol (PubChem CID 83913326) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol.

Molecular Properties

Compound Name7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol
PubChem CID83913326
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol
SMILESNCCC1(O)CCCc2c(Br)n[nH]c21
InChIInChI=1S/C9H14BrN3O/c10-8-6-2-1-3-9(14,4-5-11)7(6)12-13-8/h14H,1-5,11H2,(H,12,13)
InChIKeyTXQIBBHWHADHJQ-UHFFFAOYSA-N
XLogP1.04
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Difluoromethyl)-7-methyl-2,4,5,6-tetrahydroindazol-7-ol
CID 150649039
7-(2-Aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol
CID 83906524
7-(Aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol
CID 83912911
4-(Aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol
CID 83912914
7-(aminomethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83913322
4-(2-Aminoethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol
CID 83913329
7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83913801
7-(2-aminoethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83913802
2-(3-Bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
CID 83913830
1-amino-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-ol
CID 165647668

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol?
The IUPAC name of 7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol (CID 83913326) is 7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol.
What is the SMILES notation for 7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol?
The canonical SMILES for 7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol is NCCC1(O)CCCc2c(Br)n[nH]c21.
What is the InChIKey of 7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol?
The InChIKey is TXQIBBHWHADHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c10-8-6-2-1-3-9(14,4-5-11)7(6)12-13-8/h14H,1-5,11H2,(H,12,13).
What are the key properties of 7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol?
7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol has a molecular weight of 260.13 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol is sourced from PubChem (CID 83913326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).