1-(oxan-2-yl)indazol-5-amine

C12H15N3O — CID 22933927

IUPAC1-(oxan-2-yl)indazol-5-amine
SMILESNc1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C12H15N3O/c13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6,13H2
InChIKeyMMBUQRHOEINQHO-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.32
Rot. Bonds1

About 1-(oxan-2-yl)indazol-5-amine

1-(oxan-2-yl)indazol-5-amine (PubChem CID 22933927) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(oxan-2-yl)indazol-5-amine.

Molecular Properties

Compound Name1-(oxan-2-yl)indazol-5-amine
PubChem CID22933927
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(oxan-2-yl)indazol-5-amine
SMILESNc1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C12H15N3O/c13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6,13H2
InChIKeyMMBUQRHOEINQHO-UHFFFAOYSA-N
XLogP2.32
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)indazol-5-amine?
The IUPAC name of 1-(oxan-2-yl)indazol-5-amine (CID 22933927) is 1-(oxan-2-yl)indazol-5-amine.
What is the SMILES notation for 1-(oxan-2-yl)indazol-5-amine?
The canonical SMILES for 1-(oxan-2-yl)indazol-5-amine is Nc1ccc2c(cnn2C2CCCCO2)c1.
What is the InChIKey of 1-(oxan-2-yl)indazol-5-amine?
The InChIKey is MMBUQRHOEINQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6,13H2.
What are the key properties of 1-(oxan-2-yl)indazol-5-amine?
1-(oxan-2-yl)indazol-5-amine has a molecular weight of 217.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)indazol-5-amine is sourced from PubChem (CID 22933927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).