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

C8H12BrN3O — CID 83912911

IUPAC7-(aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol
SMILESNCC1(O)CCCc2c(Br)n[nH]c21
InChIInChI=1S/C8H12BrN3O/c9-7-5-2-1-3-8(13,4-10)6(5)11-12-7/h13H,1-4,10H2,(H,11,12)
InChIKeyMDGUBBIHSNCBKM-UHFFFAOYSA-N
MW246.11 g/mol
LogP0.65
Rot. Bonds1

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

7-(aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol (PubChem CID 83912911) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 7-(aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol.

Molecular Properties

Compound Name7-(aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol
PubChem CID83912911
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name7-(aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol
SMILESNCC1(O)CCCc2c(Br)n[nH]c21
InChIInChI=1S/C8H12BrN3O/c9-7-5-2-1-3-8(13,4-10)6(5)11-12-7/h13H,1-4,10H2,(H,11,12)
InChIKeyMDGUBBIHSNCBKM-UHFFFAOYSA-N
XLogP0.65
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-(aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(Aminomethyl)-1,4,5,6-tetrahydroindazol-7-ol
CID 83905565
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
7-(2-Aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol
CID 83913326
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-(aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol?
The IUPAC name of 7-(aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol (CID 83912911) is 7-(aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol.
What is the SMILES notation for 7-(aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol?
The canonical SMILES for 7-(aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol is NCC1(O)CCCc2c(Br)n[nH]c21.
What is the InChIKey of 7-(aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol?
The InChIKey is MDGUBBIHSNCBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c9-7-5-2-1-3-8(13,4-10)6(5)11-12-7/h13H,1-4,10H2,(H,11,12).
What are the key properties of 7-(aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol?
7-(aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol has a molecular weight of 246.11 g/mol, XLogP of 0.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol is sourced from PubChem (CID 83912911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).