3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol

C10H17N3O — CID 83863689

IUPAC3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCn1nc2c(c1CCN)C(O)CCC2
InChIInChI=1S/C10H17N3O/c1-13-8(5-6-11)10-7(12-13)3-2-4-9(10)14/h9,14H,2-6,11H2,1H3
InChIKeyCXLTZGOKGGPKNH-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.29
Rot. Bonds2

About 3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol

3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 83863689) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID83863689
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCn1nc2c(c1CCN)C(O)CCC2
InChIInChI=1S/C10H17N3O/c1-13-8(5-6-11)10-7(12-13)3-2-4-9(10)14/h9,14H,2-6,11H2,1H3
InChIKeyCXLTZGOKGGPKNH-UHFFFAOYSA-N
XLogP0.29
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 13836898
3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
CID 90162164
3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol
CID 90167674
3-(difluoromethyl)-1-ethyl-7,7-difluoro-5,6-dihydro-4H-indazol-4-ol
CID 118357662
3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
CID 129129794
4-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]-2,2-dimethylbutanenitrile
CID 168250415
4-[(4S)-5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]-2-methylbutanenitrile
CID 168250420
(4S)-5,5-difluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250423
5-fluoro-5-methyl-1-(4,4,4-trifluoro-3-hydroxybutyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250424
4-[(4S)-5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]-2,2-dimethylbutanenitrile
CID 168250425
(4S)-5,5-difluoro-3-(trifluoromethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-4H-indazol-4-ol
CID 168250428
(4S)-1-(2-cyclopropyl-2-fluoroethyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250443

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol (CID 83863689) is 3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol is Cn1nc2c(c1CCN)C(O)CCC2.
What is the InChIKey of 3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is CXLTZGOKGGPKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-8(5-6-11)10-7(12-13)3-2-4-9(10)14/h9,14H,2-6,11H2,1H3.
What are the key properties of 3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol?
3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 195.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 83863689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).