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

C9H14BrN3O — CID 83913329

IUPAC4-(2-aminoethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol
SMILESNCCC1(O)CCCc2[nH]nc(Br)c21
InChIInChI=1S/C9H14BrN3O/c10-8-7-6(12-13-8)2-1-3-9(7,14)4-5-11/h14H,1-5,11H2,(H,12,13)
InChIKeyWFTIZZLALCIENJ-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.04
Rot. Bonds2

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

4-(2-aminoethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol (PubChem CID 83913329) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol
PubChem CID83913329
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name4-(2-aminoethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol
SMILESNCCC1(O)CCCc2[nH]nc(Br)c21
InChIInChI=1S/C9H14BrN3O/c10-8-7-6(12-13-8)2-1-3-9(7,14)4-5-11/h14H,1-5,11H2,(H,12,13)
InChIKeyWFTIZZLALCIENJ-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-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 82591214
3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 83863575
4-(Aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 83905567
4-(Aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol
CID 83906519
4-(2-Aminoethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 83906525
4-(Aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol
CID 83909020
4-(Aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol
CID 83909373
4-(2-Aminoethyl)-3-ethyl-1,5,6,7-tetrahydroindazol-4-ol
CID 83909377
4-(Aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol
CID 83912914
4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83913324
4-(aminomethyl)-3-bromo-1-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83913325
7-(2-Aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol
CID 83913326

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 4-(2-aminoethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol (CID 83913329) is 4-(2-aminoethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 4-(2-aminoethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 4-(2-aminoethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol is NCCC1(O)CCCc2[nH]nc(Br)c21.
What is the InChIKey of 4-(2-aminoethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is WFTIZZLALCIENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c10-8-7-6(12-13-8)2-1-3-9(7,14)4-5-11/h14H,1-5,11H2,(H,12,13).
What are the key properties of 4-(2-aminoethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol?
4-(2-aminoethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-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 4-(2-aminoethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 83913329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).