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

C7H10N2O — CID 89105238

IUPAC(4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol
SMILESO[C@H]1CCCc2[nH]ncc21
InChIInChI=1S/C7H10N2O/c10-7-3-1-2-6-5(7)4-8-9-6/h4,7,10H,1-3H2,(H,8,9)/t7-/m0/s1
InChIKeyKMVPZFQPMBEGDF-ZETCQYMHSA-N
MW138.17 g/mol
LogP0.78
Rot. Bonds

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

(4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol (PubChem CID 89105238) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol.

Molecular Properties

Compound Name(4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol
PubChem CID89105238
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol
SMILESO[C@H]1CCCc2[nH]ncc21
InChIInChI=1S/C7H10N2O/c10-7-3-1-2-6-5(7)4-8-9-6/h4,7,10H,1-3H2,(H,8,9)/t7-/m0/s1
InChIKeyKMVPZFQPMBEGDF-ZETCQYMHSA-N
XLogP0.78
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The IUPAC name of (4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol (CID 89105238) is (4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol.
What is the SMILES notation for (4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The canonical SMILES for (4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol is O[C@H]1CCCc2[nH]ncc21.
What is the InChIKey of (4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The InChIKey is KMVPZFQPMBEGDF-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10N2O/c10-7-3-1-2-6-5(7)4-8-9-6/h4,7,10H,1-3H2,(H,8,9)/t7-/m0/s1.
What are the key properties of (4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
(4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol has a molecular weight of 138.17 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol is sourced from PubChem (CID 89105238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).