azane;6-phenylsulfanyl-1-propylindazole

C16H19N3S — CID 66838329

IUPACazane;6-phenylsulfanyl-1-propylindazole
SMILESCCCn1ncc2ccc(Sc3ccccc3)cc21.N
InChIInChI=1S/C16H16N2S.H3N/c1-2-10-18-16-11-15(9-8-13(16)12-17-18)19-14-6-4-3-5-7-14;/h3-9,11-12H,2,10H2,1H3;1H3
InChIKeyPIEMJFMYXSQWBF-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.76
Rot. Bonds4

About azane;6-phenylsulfanyl-1-propylindazole

azane;6-phenylsulfanyl-1-propylindazole (PubChem CID 66838329) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is azane;6-phenylsulfanyl-1-propylindazole.

Molecular Properties

Compound Nameazane;6-phenylsulfanyl-1-propylindazole
PubChem CID66838329
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Nameazane;6-phenylsulfanyl-1-propylindazole
SMILESCCCn1ncc2ccc(Sc3ccccc3)cc21.N
InChIInChI=1S/C16H16N2S.H3N/c1-2-10-18-16-11-15(9-8-13(16)12-17-18)19-14-6-4-3-5-7-14;/h3-9,11-12H,2,10H2,1H3;1H3
InChIKeyPIEMJFMYXSQWBF-UHFFFAOYSA-N
XLogP4.76
TPSA52.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;6-phenylsulfanyl-1-propylindazole?
The IUPAC name of azane;6-phenylsulfanyl-1-propylindazole (CID 66838329) is azane;6-phenylsulfanyl-1-propylindazole.
What is the SMILES notation for azane;6-phenylsulfanyl-1-propylindazole?
The canonical SMILES for azane;6-phenylsulfanyl-1-propylindazole is CCCn1ncc2ccc(Sc3ccccc3)cc21.N.
What is the InChIKey of azane;6-phenylsulfanyl-1-propylindazole?
The InChIKey is PIEMJFMYXSQWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S.H3N/c1-2-10-18-16-11-15(9-8-13(16)12-17-18)19-14-6-4-3-5-7-14;/h3-9,11-12H,2,10H2,1H3;1H3.
What are the key properties of azane;6-phenylsulfanyl-1-propylindazole?
azane;6-phenylsulfanyl-1-propylindazole has a molecular weight of 285.42 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;6-phenylsulfanyl-1-propylindazole is sourced from PubChem (CID 66838329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).