1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine

C17H23N3O2 — CID 171067405

IUPAC1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine
SMILESNc1cc(C2CCOCC2)cc2c1cnn2C1CCCCO1
InChIInChI=1S/C17H23N3O2/c18-15-9-13(12-4-7-21-8-5-12)10-16-14(15)11-19-20(16)17-3-1-2-6-22-17/h9-12,17H,1-8,18H2
InChIKeyLQEQDMWUUVTPEP-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.21
Rot. Bonds2

About 1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine

1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine (PubChem CID 171067405) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine.

Molecular Properties

Compound Name1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine
PubChem CID171067405
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine
SMILESNc1cc(C2CCOCC2)cc2c1cnn2C1CCCCO1
InChIInChI=1S/C17H23N3O2/c18-15-9-13(12-4-7-21-8-5-12)10-16-14(15)11-19-20(16)17-3-1-2-6-22-17/h9-12,17H,1-8,18H2
InChIKeyLQEQDMWUUVTPEP-UHFFFAOYSA-N
XLogP3.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-1-(oxan-2-yl)indazol-4-amine
CID 175161622
6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine
CID 171066775
1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-6-amine
CID 59276653
6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine
CID 174316743
1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 131697629
4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
CID 121228913
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039
4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole
CID 171067202
6-chloro-4-ethynyl-1-(oxan-2-yl)indazole
CID 134298715
4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole
CID 171567702

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine?
The IUPAC name of 1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine (CID 171067405) is 1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine.
What is the SMILES notation for 1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine?
The canonical SMILES for 1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine is Nc1cc(C2CCOCC2)cc2c1cnn2C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine?
The InChIKey is LQEQDMWUUVTPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-15-9-13(12-4-7-21-8-5-12)10-16-14(15)11-19-20(16)17-3-1-2-6-22-17/h9-12,17H,1-8,18H2.
What are the key properties of 1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine?
1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine has a molecular weight of 301.39 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine is sourced from PubChem (CID 171067405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).