4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol

C10H16BrN3O — CID 83913803

IUPAC4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol
SMILESCn1nc2c(c1Br)C(O)(CCN)CCC2
InChIInChI=1S/C10H16BrN3O/c1-14-9(11)8-7(13-14)3-2-4-10(8,15)5-6-12/h15H,2-6,12H2,1H3
InChIKeyRQQOHPIGSHEQOS-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.06
Rot. Bonds2

About 4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol

4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol (PubChem CID 83913803) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol
PubChem CID83913803
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol
SMILESCn1nc2c(c1Br)C(O)(CCN)CCC2
InChIInChI=1S/C10H16BrN3O/c1-14-9(11)8-7(13-14)3-2-4-10(8,15)5-6-12/h15H,2-6,12H2,1H3
InChIKeyRQQOHPIGSHEQOS-UHFFFAOYSA-N
XLogP1.06
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Aminoethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 83863571
3-(2-Aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 83863689
4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83906522
4-(aminomethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83906523
4-(2-aminoethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83907843
4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83907844
4-(2-aminoethyl)-2,3-dimethyl-6,7-dihydro-5H-indazol-4-ol
CID 83909376
4-(2-aminoethyl)-1,3-dimethyl-6,7-dihydro-5H-indazol-4-ol
CID 83909378
4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83910595
4-(aminomethyl)-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83910596
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol?
The IUPAC name of 4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol (CID 83913803) is 4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol.
What is the SMILES notation for 4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol?
The canonical SMILES for 4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol is Cn1nc2c(c1Br)C(O)(CCN)CCC2.
What is the InChIKey of 4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol?
The InChIKey is RQQOHPIGSHEQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-14-9(11)8-7(13-14)3-2-4-10(8,15)5-6-12/h15H,2-6,12H2,1H3.
What are the key properties of 4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol?
4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol has a molecular weight of 274.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol is sourced from PubChem (CID 83913803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).