5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole

C7H10N5S+ — CID 18726753

IUPAC5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole
SMILESCC1=NN=C(c2snnc2C)[NH+]1C
InChIInChI=1S/C7H9N5S/c1-4-6(13-11-8-4)7-10-9-5(2)12(7)3/h1-3H3/p+1
InChIKeyWTHGSMLWKKLQLY-UHFFFAOYSA-O
MW196.26 g/mol
LogP-0.55
Rot. Bonds1

About 5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole

5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole (PubChem CID 18726753) has the molecular formula C7H10N5S+ and a molecular weight of 196.26 g/mol. Its IUPAC name is 5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole.

Molecular Properties

Compound Name5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole
PubChem CID18726753
Molecular FormulaC7H10N5S+
Molecular Weight196.26 g/mol
Exact Mass196.07
IUPAC Name5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole
SMILESCC1=NN=C(c2snnc2C)[NH+]1C
InChIInChI=1S/C7H9N5S/c1-4-6(13-11-8-4)7-10-9-5(2)12(7)3/h1-3H3/p+1
InChIKeyWTHGSMLWKKLQLY-UHFFFAOYSA-O
XLogP-0.55
TPSA54.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole?
The IUPAC name of 5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole (CID 18726753) is 5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole.
What is the SMILES notation for 5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole?
The canonical SMILES for 5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole is CC1=NN=C(c2snnc2C)[NH+]1C.
What is the InChIKey of 5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole?
The InChIKey is WTHGSMLWKKLQLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9N5S/c1-4-6(13-11-8-4)7-10-9-5(2)12(7)3/h1-3H3/p+1.
What are the key properties of 5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole?
5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole has a molecular weight of 196.26 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-4H-1,2,4-triazol-4-ium-3-yl)-4-methylthiadiazole is sourced from PubChem (CID 18726753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).