8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine

C11H16N4OS — CID 67757518

IUPAC8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine
SMILESCCCOc1nnc(SCCC)n2ccnc12
InChIInChI=1S/C11H16N4OS/c1-3-7-16-10-9-12-5-6-15(9)11(14-13-10)17-8-4-2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyZMCFFYCMHIQDIF-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.42
Rot. Bonds6

About 8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine

8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine (PubChem CID 67757518) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine.

Molecular Properties

Compound Name8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine
PubChem CID67757518
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine
SMILESCCCOc1nnc(SCCC)n2ccnc12
InChIInChI=1S/C11H16N4OS/c1-3-7-16-10-9-12-5-6-15(9)11(14-13-10)17-8-4-2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyZMCFFYCMHIQDIF-UHFFFAOYSA-N
XLogP2.42
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine?
The IUPAC name of 8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine (CID 67757518) is 8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine.
What is the SMILES notation for 8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine?
The canonical SMILES for 8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine is CCCOc1nnc(SCCC)n2ccnc12.
What is the InChIKey of 8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine?
The InChIKey is ZMCFFYCMHIQDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-3-7-16-10-9-12-5-6-15(9)11(14-13-10)17-8-4-2/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine?
8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine has a molecular weight of 252.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propoxy-5-propylsulfanylimidazo[1,2-d][1,2,4]triazine is sourced from PubChem (CID 67757518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).