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

C14H19N3O — CID 175161622

IUPAC6-ethyl-1-(oxan-2-yl)indazol-4-amine
SMILESCCc1cc(N)c2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C14H19N3O/c1-2-10-7-12(15)11-9-16-17(13(11)8-10)14-5-3-4-6-18-14/h7-9,14H,2-6,15H2,1H3
InChIKeyLJXJARGGVJHNOG-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.88
Rot. Bonds2

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

6-ethyl-1-(oxan-2-yl)indazol-4-amine (PubChem CID 175161622) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-ethyl-1-(oxan-2-yl)indazol-4-amine.

Molecular Properties

Compound Name6-ethyl-1-(oxan-2-yl)indazol-4-amine
PubChem CID175161622
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-ethyl-1-(oxan-2-yl)indazol-4-amine
SMILESCCc1cc(N)c2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C14H19N3O/c1-2-10-7-12(15)11-9-16-17(13(11)8-10)14-5-3-4-6-18-14/h7-9,14H,2-6,15H2,1H3
InChIKeyLJXJARGGVJHNOG-UHFFFAOYSA-N
XLogP2.88
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.88
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 6-ethyl-1-(oxan-2-yl)indazol-4-amine?
The IUPAC name of 6-ethyl-1-(oxan-2-yl)indazol-4-amine (CID 175161622) is 6-ethyl-1-(oxan-2-yl)indazol-4-amine.
What is the SMILES notation for 6-ethyl-1-(oxan-2-yl)indazol-4-amine?
The canonical SMILES for 6-ethyl-1-(oxan-2-yl)indazol-4-amine is CCc1cc(N)c2cnn(C3CCCCO3)c2c1.
What is the InChIKey of 6-ethyl-1-(oxan-2-yl)indazol-4-amine?
The InChIKey is LJXJARGGVJHNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-10-7-12(15)11-9-16-17(13(11)8-10)14-5-3-4-6-18-14/h7-9,14H,2-6,15H2,1H3.
What are the key properties of 6-ethyl-1-(oxan-2-yl)indazol-4-amine?
6-ethyl-1-(oxan-2-yl)indazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(oxan-2-yl)indazol-4-amine is sourced from PubChem (CID 175161622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).