3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol

C9H15N3O — CID 83863575

IUPAC3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
SMILESNCCc1n[nH]c2c1C(O)CCC2
InChIInChI=1S/C9H15N3O/c10-5-4-7-9-6(11-12-7)2-1-3-8(9)13/h8,13H,1-5,10H2,(H,11,12)
InChIKeyRCRYRCWJZSQPBU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.28
Rot. Bonds2

About 3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol

3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol (PubChem CID 83863575) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
PubChem CID83863575
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
SMILESNCCc1n[nH]c2c1C(O)CCC2
InChIInChI=1S/C9H15N3O/c10-5-4-7-9-6(11-12-7)2-1-3-8(9)13/h8,13H,1-5,10H2,(H,11,12)
InChIKeyRCRYRCWJZSQPBU-UHFFFAOYSA-N
XLogP0.28
TPSA74.93 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 ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol with MolForge

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Related Compounds

(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 21787796
4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 57671326
(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
(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 105434428
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol
CID 162564217
2-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165626280
2,2-difluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165630779
(1R)-2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165630783
1,1,1-trifluoro-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-ol
CID 165650029
(1S)-2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165695486

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The IUPAC name of 3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol (CID 83863575) is 3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol.
What is the SMILES notation for 3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The canonical SMILES for 3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol is NCCc1n[nH]c2c1C(O)CCC2.
What is the InChIKey of 3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The InChIKey is RCRYRCWJZSQPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-5-4-7-9-6(11-12-7)2-1-3-8(9)13/h8,13H,1-5,10H2,(H,11,12).
What are the key properties of 3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol has a molecular weight of 181.24 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol is sourced from PubChem (CID 83863575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).