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

C10H16BrN3O — CID 83913801

IUPAC7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol
SMILESCn1nc2c(c1Br)CCCC2(O)CCN
InChIInChI=1S/C10H16BrN3O/c1-14-9(11)7-3-2-4-10(15,5-6-12)8(7)13-14/h15H,2-6,12H2,1H3
InChIKeyIWNJVRRWVWDEEY-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.06
Rot. Bonds2

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

7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol (PubChem CID 83913801) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol.

Molecular Properties

Compound Name7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol
PubChem CID83913801
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol
SMILESCn1nc2c(c1Br)CCCC2(O)CCN
InChIInChI=1S/C10H16BrN3O/c1-14-9(11)7-3-2-4-10(15,5-6-12)8(7)13-14/h15H,2-6,12H2,1H3
InChIKeyIWNJVRRWVWDEEY-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

7-(2-aminoethyl)-1-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83907841
7-(2-aminoethyl)-2-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83907842
7-(aminomethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83913322
7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83913323
4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83913324
7-(2-Aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol
CID 83913326
7-(2-aminoethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83913802
4-(2-aminoethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83913803
4-(2-aminoethyl)-3-bromo-1-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83913804
3-Amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol
CID 84677163

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol?
The IUPAC name of 7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol (CID 83913801) is 7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol.
What is the SMILES notation for 7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol?
The canonical SMILES for 7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol is Cn1nc2c(c1Br)CCCC2(O)CCN.
What is the InChIKey of 7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol?
The InChIKey is IWNJVRRWVWDEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-14-9(11)7-3-2-4-10(15,5-6-12)8(7)13-14/h15H,2-6,12H2,1H3.
What are the key properties of 7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol?
7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-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 7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol is sourced from PubChem (CID 83913801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).