3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol

C9H15N3O — CID 83863577

IUPAC3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
SMILESCNCc1n[nH]c2c1C(O)CCC2
InChIInChI=1S/C9H15N3O/c1-10-5-7-9-6(11-12-7)3-2-4-8(9)13/h8,10,13H,2-5H2,1H3,(H,11,12)
InChIKeyICXVQVZZUFSHKF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.50
Rot. Bonds2

About 3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol

3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol (PubChem CID 83863577) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol.

Molecular Properties

Compound Name3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
PubChem CID83863577
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
SMILESCNCc1n[nH]c2c1C(O)CCC2
InChIInChI=1S/C9H15N3O/c1-10-5-7-9-6(11-12-7)3-2-4-8(9)13/h8,10,13H,2-5H2,1H3,(H,11,12)
InChIKeyICXVQVZZUFSHKF-UHFFFAOYSA-N
XLogP0.50
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5,5-difluoro-3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-4-ol
CID 168250598
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 168250716
5,5-Difluoro-3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-4-ol
CID 168250813
6,6-Dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol
CID 71032665
3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 13333938
3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 15192804
3,6,6-Trimethyl-2,4,5,7-tetrahydroindazol-4-ol
CID 19245291
3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489339
3-(Aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 82591177
3-(Aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol
CID 82591178
3-(Aminomethyl)-1-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydroindazol-4-ol
CID 82591180
3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 82591214

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The IUPAC name of 3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol (CID 83863577) is 3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol.
What is the SMILES notation for 3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The canonical SMILES for 3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol is CNCc1n[nH]c2c1C(O)CCC2.
What is the InChIKey of 3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The InChIKey is ICXVQVZZUFSHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-10-5-7-9-6(11-12-7)3-2-4-8(9)13/h8,10,13H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol has a molecular weight of 181.24 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol is sourced from PubChem (CID 83863577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).