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

C12H14FN3O — CID 139347986

IUPAC6-fluoro-1-(oxan-2-yl)indazol-5-amine
SMILESNc1cc2cnn(C3CCCCO3)c2cc1F
InChIInChI=1S/C12H14FN3O/c13-9-6-11-8(5-10(9)14)7-15-16(11)12-3-1-2-4-17-12/h5-7,12H,1-4,14H2
InChIKeyCLUXYVAHRMERCR-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.46
Rot. Bonds1

About 6-fluoro-1-(oxan-2-yl)indazol-5-amine

6-fluoro-1-(oxan-2-yl)indazol-5-amine (PubChem CID 139347986) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 6-fluoro-1-(oxan-2-yl)indazol-5-amine.

Molecular Properties

Compound Name6-fluoro-1-(oxan-2-yl)indazol-5-amine
PubChem CID139347986
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name6-fluoro-1-(oxan-2-yl)indazol-5-amine
SMILESNc1cc2cnn(C3CCCCO3)c2cc1F
InChIInChI=1S/C12H14FN3O/c13-9-6-11-8(5-10(9)14)7-15-16(11)12-3-1-2-4-17-12/h5-7,12H,1-4,14H2
InChIKeyCLUXYVAHRMERCR-UHFFFAOYSA-N
XLogP2.46
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.46
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-fluoro-1-(oxan-2-yl)indazol-5-amine?
The IUPAC name of 6-fluoro-1-(oxan-2-yl)indazol-5-amine (CID 139347986) is 6-fluoro-1-(oxan-2-yl)indazol-5-amine.
What is the SMILES notation for 6-fluoro-1-(oxan-2-yl)indazol-5-amine?
The canonical SMILES for 6-fluoro-1-(oxan-2-yl)indazol-5-amine is Nc1cc2cnn(C3CCCCO3)c2cc1F.
What is the InChIKey of 6-fluoro-1-(oxan-2-yl)indazol-5-amine?
The InChIKey is CLUXYVAHRMERCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-9-6-11-8(5-10(9)14)7-15-16(11)12-3-1-2-4-17-12/h5-7,12H,1-4,14H2.
What are the key properties of 6-fluoro-1-(oxan-2-yl)indazol-5-amine?
6-fluoro-1-(oxan-2-yl)indazol-5-amine has a molecular weight of 235.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(oxan-2-yl)indazol-5-amine is sourced from PubChem (CID 139347986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).