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

C8H12BrN3O — CID 83912914

IUPAC4-(aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol
SMILESNCC1(O)CCCc2[nH]nc(Br)c21
InChIInChI=1S/C8H12BrN3O/c9-7-6-5(11-12-7)2-1-3-8(6,13)4-10/h13H,1-4,10H2,(H,11,12)
InChIKeyPJEJJZSRCSKWDT-UHFFFAOYSA-N
MW246.11 g/mol
LogP0.65
Rot. Bonds1

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

4-(aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol (PubChem CID 83912914) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol
PubChem CID83912914
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name4-(aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol
SMILESNCC1(O)CCCc2[nH]nc(Br)c21
InChIInChI=1S/C8H12BrN3O/c9-7-6-5(11-12-7)2-1-3-8(6,13)4-10/h13H,1-4,10H2,(H,11,12)
InChIKeyPJEJJZSRCSKWDT-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

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Related Compounds

4-(1-Aminoethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 82408241
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-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-(aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 4-(aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol (CID 83912914) is 4-(aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 4-(aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol is NCC1(O)CCCc2[nH]nc(Br)c21.
What is the InChIKey of 4-(aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is PJEJJZSRCSKWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c9-7-6-5(11-12-7)2-1-3-8(6,13)4-10/h13H,1-4,10H2,(H,11,12).
What are the key properties of 4-(aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol?
4-(aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-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 4-(aminomethyl)-3-bromo-1,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 83912914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).