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

C8H13N3O — CID 82591214

IUPAC3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
SMILESNCc1n[nH]c2c1C(O)CCC2
InChIInChI=1S/C8H13N3O/c9-4-6-8-5(10-11-6)2-1-3-7(8)12/h7,12H,1-4,9H2,(H,10,11)
InChIKeyNZXUKLNAABLMQB-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.24
Rot. Bonds1

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

3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol (PubChem CID 82591214) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
PubChem CID82591214
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
SMILESNCc1n[nH]c2c1C(O)CCC2
InChIInChI=1S/C8H13N3O/c9-4-6-8-5(10-11-6)2-1-3-7(8)12/h7,12H,1-4,9H2,(H,10,11)
InChIKeyNZXUKLNAABLMQB-UHFFFAOYSA-N
XLogP0.24
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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
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
2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165743404

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The IUPAC name of 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol (CID 82591214) is 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol.
What is the SMILES notation for 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The canonical SMILES for 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol is NCc1n[nH]c2c1C(O)CCC2.
What is the InChIKey of 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The InChIKey is NZXUKLNAABLMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-4-6-8-5(10-11-6)2-1-3-7(8)12/h7,12H,1-4,9H2,(H,10,11).
What are the key properties of 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol has a molecular weight of 167.21 g/mol, XLogP of 0.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol is sourced from PubChem (CID 82591214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).