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

C8H12N2O — CID 55253391

IUPAC4,5,6,7-tetrahydro-1H-indazol-5-ylmethanol
SMILESOCC1CCc2[nH]ncc2C1
InChIInChI=1S/C8H12N2O/c11-5-6-1-2-8-7(3-6)4-9-10-8/h4,6,11H,1-3,5H2,(H,9,10)
InChIKeyUWAPRLRCJWSGAU-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.51
Rot. Bonds1

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

4,5,6,7-tetrahydro-1H-indazol-5-ylmethanol (PubChem CID 55253391) 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-5-ylmethanol.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-indazol-5-ylmethanol
PubChem CID55253391
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4,5,6,7-tetrahydro-1H-indazol-5-ylmethanol
SMILESOCC1CCc2[nH]ncc2C1
InChIInChI=1S/C8H12N2O/c11-5-6-1-2-8-7(3-6)4-9-10-8/h4,6,11H,1-3,5H2,(H,9,10)
InChIKeyUWAPRLRCJWSGAU-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
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-5-ylmethanol?
The IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-5-ylmethanol (CID 55253391) is 4,5,6,7-tetrahydro-1H-indazol-5-ylmethanol.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-indazol-5-ylmethanol?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-indazol-5-ylmethanol is OCC1CCc2[nH]ncc2C1.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-indazol-5-ylmethanol?
The InChIKey is UWAPRLRCJWSGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c11-5-6-1-2-8-7(3-6)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-5-ylmethanol?
4,5,6,7-tetrahydro-1H-indazol-5-ylmethanol has a molecular weight of 152.20 g/mol, XLogP of 0.51, 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-5-ylmethanol is sourced from PubChem (CID 55253391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).