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

C8H13N3O — CID 83854745

IUPAC3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol
SMILESNCc1n[nH]c2c1CCC(O)C2
InChIInChI=1S/C8H13N3O/c9-4-8-6-2-1-5(12)3-7(6)10-11-8/h5,12H,1-4,9H2,(H,10,11)
InChIKeyAUBMPXAJKMOHIA-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.28
Rot. Bonds1

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

3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol (PubChem CID 83854745) 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-6-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol
PubChem CID83854745
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol
SMILESNCc1n[nH]c2c1CCC(O)C2
InChIInChI=1S/C8H13N3O/c9-4-8-6-2-1-5(12)3-7(6)10-11-8/h5,12H,1-4,9H2,(H,10,11)
InChIKeyAUBMPXAJKMOHIA-UHFFFAOYSA-N
XLogP-0.28
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 ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-tetrahydro-1H-indazol-6-ol
CID 71695301
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 168250716
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol
CID 162564217
1,1,1-trifluoro-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-ol
CID 165650029
2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165968575
3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol
CID 82417108
3-amino-4,5,6,7-tetrahydro-1H-indazol-6-ol
CID 84020880
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-ol
CID 124086893
4,5,6,7-Tetrahydro-3-iodo-1h-indazol-6-ol
CID 129091604
(6S)-3-amino-4,5,6,7-tetrahydro-1H-indazol-6-ol
CID 132168500
(6R)-3-amino-4,5,6,7-tetrahydro-1H-indazol-6-ol
CID 132168741
ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-ol
CID 145138637

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol?
The IUPAC name of 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol (CID 83854745) is 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol.
What is the SMILES notation for 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol?
The canonical SMILES for 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol is NCc1n[nH]c2c1CCC(O)C2.
What is the InChIKey of 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol?
The InChIKey is AUBMPXAJKMOHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-4-8-6-2-1-5(12)3-7(6)10-11-8/h5,12H,1-4,9H2,(H,10,11).
What are the key properties of 3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol?
3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol has a molecular weight of 167.21 g/mol, XLogP of -0.28, 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-6-ol is sourced from PubChem (CID 83854745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).