4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol

C8H12N2O — CID 155978058

IUPAC4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol
SMILESOCC1CCCc2[nH]ncc21
InChIInChI=1S/C8H12N2O/c11-5-6-2-1-3-8-7(6)4-9-10-8/h4,6,11H,1-3,5H2,(H,9,10)
InChIKeyHVKGTTVCAFRQPF-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.82
Rot. Bonds1

About 4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol

4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol (PubChem CID 155978058) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol
PubChem CID155978058
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol
SMILESOCC1CCCc2[nH]ncc21
InChIInChI=1S/C8H12N2O/c11-5-6-2-1-3-8-7(6)4-9-10-8/h4,6,11H,1-3,5H2,(H,9,10)
InChIKeyHVKGTTVCAFRQPF-UHFFFAOYSA-N
XLogP0.82
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol?
The IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol (CID 155978058) is 4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol is OCC1CCCc2[nH]ncc21.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol?
The InChIKey is HVKGTTVCAFRQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c11-5-6-2-1-3-8-7(6)4-9-10-8/h4,6,11H,1-3,5H2,(H,9,10).
What are the key properties of 4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol?
4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol has a molecular weight of 152.20 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-indazol-4-ylmethanol is sourced from PubChem (CID 155978058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).