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

C9H14BrN3O — CID 83913324

IUPAC4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol
SMILESCn1nc2c(c1Br)C(O)(CN)CCC2
InChIInChI=1S/C9H14BrN3O/c1-13-8(10)7-6(12-13)3-2-4-9(7,14)5-11/h14H,2-5,11H2,1H3
InChIKeyXUODGQWXCZYWDV-UHFFFAOYSA-N
MW260.13 g/mol
LogP0.67
Rot. Bonds1

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

4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol (PubChem CID 83913324) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol
PubChem CID83913324
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol
SMILESCn1nc2c(c1Br)C(O)(CN)CCC2
InChIInChI=1S/C9H14BrN3O/c1-13-8(10)7-6(12-13)3-2-4-9(7,14)5-11/h14H,2-5,11H2,1H3
InChIKeyXUODGQWXCZYWDV-UHFFFAOYSA-N
XLogP0.67
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 82591177
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
3-(Aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 83863691
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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol?
The IUPAC name of 4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol (CID 83913324) is 4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol?
The canonical SMILES for 4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol is Cn1nc2c(c1Br)C(O)(CN)CCC2.
What is the InChIKey of 4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol?
The InChIKey is XUODGQWXCZYWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-13-8(10)7-6(12-13)3-2-4-9(7,14)5-11/h14H,2-5,11H2,1H3.
What are the key properties of 4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol?
4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol has a molecular weight of 260.13 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol is sourced from PubChem (CID 83913324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).