N-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine

C10H17N5OS2 — CID 15050968

IUPACN-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine
SMILESCSC(=Nc1nc(N2CCOCC2)nn1C)SC
InChIInChI=1S/C10H17N5OS2/c1-14-8(12-10(17-2)18-3)11-9(13-14)15-4-6-16-7-5-15/h4-7H2,1-3H3
InChIKeyKCWUQHDZXIBOFS-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.37
Rot. Bonds2

About N-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine

N-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine (PubChem CID 15050968) has the molecular formula C10H17N5OS2 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine.

Molecular Properties

Compound NameN-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine
PubChem CID15050968
Molecular FormulaC10H17N5OS2
Molecular Weight287.41 g/mol
Exact Mass287.09
IUPAC NameN-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine
SMILESCSC(=Nc1nc(N2CCOCC2)nn1C)SC
InChIInChI=1S/C10H17N5OS2/c1-14-8(12-10(17-2)18-3)11-9(13-14)15-4-6-16-7-5-15/h4-7H2,1-3H3
InChIKeyKCWUQHDZXIBOFS-UHFFFAOYSA-N
XLogP1.37
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine?
The IUPAC name of N-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine (CID 15050968) is N-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine.
What is the SMILES notation for N-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine?
The canonical SMILES for N-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine is CSC(=Nc1nc(N2CCOCC2)nn1C)SC.
What is the InChIKey of N-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine?
The InChIKey is KCWUQHDZXIBOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS2/c1-14-8(12-10(17-2)18-3)11-9(13-14)15-4-6-16-7-5-15/h4-7H2,1-3H3.
What are the key properties of N-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine?
N-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine has a molecular weight of 287.41 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,1-bis(methylsulfanyl)methanimine is sourced from PubChem (CID 15050968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).