6-chloro-2-(oxan-4-yl)indazol-5-amine

C12H14ClN3O — CID 137377432

IUPAC6-chloro-2-(oxan-4-yl)indazol-5-amine
SMILESNc1cc2cn(C3CCOCC3)nc2cc1Cl
InChIInChI=1S/C12H14ClN3O/c13-10-6-12-8(5-11(10)14)7-16(15-12)9-1-3-17-4-2-9/h5-7,9H,1-4,14H2
InChIKeyLDVAXXOLCZGGKE-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.62
Rot. Bonds1

About 6-chloro-2-(oxan-4-yl)indazol-5-amine

6-chloro-2-(oxan-4-yl)indazol-5-amine (PubChem CID 137377432) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-2-(oxan-4-yl)indazol-5-amine.

Molecular Properties

Compound Name6-chloro-2-(oxan-4-yl)indazol-5-amine
PubChem CID137377432
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name6-chloro-2-(oxan-4-yl)indazol-5-amine
SMILESNc1cc2cn(C3CCOCC3)nc2cc1Cl
InChIInChI=1S/C12H14ClN3O/c13-10-6-12-8(5-11(10)14)7-16(15-12)9-1-3-17-4-2-9/h5-7,9H,1-4,14H2
InChIKeyLDVAXXOLCZGGKE-UHFFFAOYSA-N
XLogP2.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Oxan-2-yl)-1H-indazol-5-amine
CID 22933927
4-Chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CID 66697941
US10981917, Example 198
CID 135304316
6-Chloro-2-ethylindazole
CID 10856090
6-Chloro-2-methyl-2H-indazol-5-amine
CID 117110289
3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide
CID 137377543
6-Chloro-4,5-difluoro-1-(oxan-2-yl)indazole
CID 139345774
6-Chloro-4-fluoro-1-tetrahydropyran-2-YL-indazole
CID 139346086
6-Fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-amine
CID 139347986
7-Fluoro-1-tetrahydropyran-2-yl-indazol-5-amine
CID 167447632
6-Chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine
CID 171067589
4-Chloro-6-fluoro-1-(oxan-2-yl)indazol-5-amine
CID 171567930

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(oxan-4-yl)indazol-5-amine?
The IUPAC name of 6-chloro-2-(oxan-4-yl)indazol-5-amine (CID 137377432) is 6-chloro-2-(oxan-4-yl)indazol-5-amine.
What is the SMILES notation for 6-chloro-2-(oxan-4-yl)indazol-5-amine?
The canonical SMILES for 6-chloro-2-(oxan-4-yl)indazol-5-amine is Nc1cc2cn(C3CCOCC3)nc2cc1Cl.
What is the InChIKey of 6-chloro-2-(oxan-4-yl)indazol-5-amine?
The InChIKey is LDVAXXOLCZGGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-10-6-12-8(5-11(10)14)7-16(15-12)9-1-3-17-4-2-9/h5-7,9H,1-4,14H2.
What are the key properties of 6-chloro-2-(oxan-4-yl)indazol-5-amine?
6-chloro-2-(oxan-4-yl)indazol-5-amine has a molecular weight of 251.72 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(oxan-4-yl)indazol-5-amine is sourced from PubChem (CID 137377432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).