[3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone

C13H10F3N3O3 — CID 100654511

IUPAC[3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone
SMILESNc1nn(C(=O)C2=COCCO2)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C13H10F3N3O3/c14-13(15,16)7-1-2-9-8(5-7)11(17)18-19(9)12(20)10-6-21-3-4-22-10/h1-2,5-6H,3-4H2,(H2,17,18)
InChIKeyWQGGZVASOPCASN-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.17
Rot. Bonds1

About [3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone

[3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone (PubChem CID 100654511) has the molecular formula C13H10F3N3O3 and a molecular weight of 313.24 g/mol. Its IUPAC name is [3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone.

Molecular Properties

Compound Name[3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone
PubChem CID100654511
Molecular FormulaC13H10F3N3O3
Molecular Weight313.24 g/mol
Exact Mass313.07
IUPAC Name[3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone
SMILESNc1nn(C(=O)C2=COCCO2)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C13H10F3N3O3/c14-13(15,16)7-1-2-9-8(5-7)11(17)18-19(9)12(20)10-6-21-3-4-22-10/h1-2,5-6H,3-4H2,(H2,17,18)
InChIKeyWQGGZVASOPCASN-UHFFFAOYSA-N
XLogP2.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone?
The IUPAC name of [3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone (CID 100654511) is [3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone.
What is the SMILES notation for [3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone?
The canonical SMILES for [3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone is Nc1nn(C(=O)C2=COCCO2)c2ccc(C(F)(F)F)cc12.
What is the InChIKey of [3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone?
The InChIKey is WQGGZVASOPCASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O3/c14-13(15,16)7-1-2-9-8(5-7)11(17)18-19(9)12(20)10-6-21-3-4-22-10/h1-2,5-6H,3-4H2,(H2,17,18).
What are the key properties of [3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone?
[3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone has a molecular weight of 313.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(trifluoromethyl)indazol-1-yl]-(2,3-dihydro-1,4-dioxin-5-yl)methanone is sourced from PubChem (CID 100654511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).