4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol

C16H23N3O2 — CID 81135201

IUPAC4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol
SMILESCCn1nc(CNCC2(O)CCOCC2)c2ccccc21
InChIInChI=1S/C16H23N3O2/c1-2-19-15-6-4-3-5-13(15)14(18-19)11-17-12-16(20)7-9-21-10-8-16/h3-6,17,20H,2,7-12H2,1H3
InChIKeyVPXARBUHELQLIM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.69
Rot. Bonds5

About 4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol

4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol (PubChem CID 81135201) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol
PubChem CID81135201
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol
SMILESCCn1nc(CNCC2(O)CCOCC2)c2ccccc21
InChIInChI=1S/C16H23N3O2/c1-2-19-15-6-4-3-5-13(15)14(18-19)11-17-12-16(20)7-9-21-10-8-16/h3-6,17,20H,2,7-12H2,1H3
InChIKeyVPXARBUHELQLIM-UHFFFAOYSA-N
XLogP1.69
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol (CID 81135201) is 4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol is CCn1nc(CNCC2(O)CCOCC2)c2ccccc21.
What is the InChIKey of 4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is VPXARBUHELQLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-19-15-6-4-3-5-13(15)14(18-19)11-17-12-16(20)7-9-21-10-8-16/h3-6,17,20H,2,7-12H2,1H3.
What are the key properties of 4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol?
4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 289.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylindazol-3-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81135201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).