4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide

C9H12BrN3O2 — CID 131716579

IUPAC4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide
SMILESBr.NCCc1ccc(O)c2[nH][nH]c(=O)c12
InChIInChI=1S/C9H11N3O2.BrH/c10-4-3-5-1-2-6(13)8-7(5)9(14)12-11-8;/h1-2,13H,3-4,10H2,(H2,11,12,14);1H
InChIKeyAAZMHEGBOWPSNL-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.64
Rot. Bonds2

About 4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide

4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide (PubChem CID 131716579) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide.

Molecular Properties

Compound Name4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide
PubChem CID131716579
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide
SMILESBr.NCCc1ccc(O)c2[nH][nH]c(=O)c12
InChIInChI=1S/C9H11N3O2.BrH/c10-4-3-5-1-2-6(13)8-7(5)9(14)12-11-8;/h1-2,13H,3-4,10H2,(H2,11,12,14);1H
InChIKeyAAZMHEGBOWPSNL-UHFFFAOYSA-N
XLogP0.64
TPSA94.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-aminoethyl)-4-hydroxy-3H-1,3-benzothiazol-2-one;hydrofluoride
CID 142718191
4-(2-aminoethyl)-1H-indazol-7-ol;hydrochloride
CID 131716575
methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 71200688
3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid
CID 163387080
4-(2-aminoethyl)-3-hydroxybenzoic acid;hydrobromide
CID 119031649
8-(2-aminoethyl)-5-hydroxy-4H-1,4-benzoxazin-3-one
CID 24958535
4-(2-aminoethyl)-1,2-dihydropyrazol-3-one
CID 58413174
4-(2-aminoethyl)benzene-1,3-diol;hydrochloride
CID 50988720
5-(2-aminoethyl)benzene-1,2,3,4-tetrol
CID 71395914
9-[3-(2-aminoethyl)-5-hydroxy-1H-indol-4-yl]-3,7-dihydropurine-2,6,8-trione
CID 54549188
2-(2-aminoethyl)-5-methylphenol
CID 55254754
4-(2-aminoethyl)-2-[(2-hydroxyphenyl)methyl]-1H-pyrazol-3-one
CID 115068896

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide?
The IUPAC name of 4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide (CID 131716579) is 4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide.
What is the SMILES notation for 4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide?
The canonical SMILES for 4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide is Br.NCCc1ccc(O)c2[nH][nH]c(=O)c12.
What is the InChIKey of 4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide?
The InChIKey is AAZMHEGBOWPSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2.BrH/c10-4-3-5-1-2-6(13)8-7(5)9(14)12-11-8;/h1-2,13H,3-4,10H2,(H2,11,12,14);1H.
What are the key properties of 4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide?
4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide has a molecular weight of 274.12 g/mol, XLogP of 0.64, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide is sourced from PubChem (CID 131716579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).