1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one

C12H16N2O2 — CID 142345857

IUPAC1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one
SMILESO=C1CCCc2cnn(C3CCOCC3)c21
InChIInChI=1S/C12H16N2O2/c15-11-3-1-2-9-8-13-14(12(9)11)10-4-6-16-7-5-10/h8,10H,1-7H2
InChIKeyCJKKSTXSQXRPHU-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.75
Rot. Bonds1

About 1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one

1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one (PubChem CID 142345857) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one.

Molecular Properties

Compound Name1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one
PubChem CID142345857
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one
SMILESO=C1CCCc2cnn(C3CCOCC3)c21
InChIInChI=1S/C12H16N2O2/c15-11-3-1-2-9-8-13-14(12(9)11)10-4-6-16-7-5-10/h8,10H,1-7H2
InChIKeyCJKKSTXSQXRPHU-UHFFFAOYSA-N
XLogP1.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(oxan-4-yl)pyrazol-4-amine
CID 69281503
5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride
CID 172907955
4-(azetidin-3-yl)-2-(oxan-4-yl)-1,2,4-triazol-3-one
CID 121208029
1-(oxan-4-yl)-3-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]urea
CID 126935296
6-chloro-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 166460362
5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole
CID 130233467
[5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine
CID 115021653
1-[5-(6-bromo-2-fluoro-3-pyridinyl)-1-(oxan-4-yl)pyrazol-4-yl]ethanone
CID 167531567
1-cyclopentyl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine
CID 142345879
1-(oxan-4-yl)-6-(oxetan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137255798
4,5-dibromo-1-cyclopentylpyrazole
CID 115053117
8,9-diazatricyclo[4.3.0.02,9]nona-1(6),7-diene
CID 90385632

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one?
The IUPAC name of 1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one (CID 142345857) is 1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one.
What is the SMILES notation for 1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one?
The canonical SMILES for 1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one is O=C1CCCc2cnn(C3CCOCC3)c21.
What is the InChIKey of 1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one?
The InChIKey is CJKKSTXSQXRPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11-3-1-2-9-8-13-14(12(9)11)10-4-6-16-7-5-10/h8,10H,1-7H2.
What are the key properties of 1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one?
1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one has a molecular weight of 220.27 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one is sourced from PubChem (CID 142345857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).