4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one

C9H12N6OS2 — CID 62883130

IUPAC4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
SMILESCNc1snnc1CSc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C9H12N6OS2/c1-10-7-6(11-14-18-7)4-17-9-13-12-8(16)15(9)5-2-3-5/h5,10H,2-4H2,1H3,(H,12,16)
InChIKeyCWMQMTWHRVOZRH-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.09
Rot. Bonds5

About 4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one

4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one (PubChem CID 62883130) has the molecular formula C9H12N6OS2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
PubChem CID62883130
Molecular FormulaC9H12N6OS2
Molecular Weight284.37 g/mol
Exact Mass284.05
IUPAC Name4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
SMILESCNc1snnc1CSc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C9H12N6OS2/c1-10-7-6(11-14-18-7)4-17-9-13-12-8(16)15(9)5-2-3-5/h5,10H,2-4H2,1H3,(H,12,16)
InChIKeyCWMQMTWHRVOZRH-UHFFFAOYSA-N
XLogP1.09
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one (CID 62883130) is 4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one is CNc1snnc1CSc1n[nH]c(=O)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
The InChIKey is CWMQMTWHRVOZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS2/c1-10-7-6(11-14-18-7)4-17-9-13-12-8(16)15(9)5-2-3-5/h5,10H,2-4H2,1H3,(H,12,16).
What are the key properties of 4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one has a molecular weight of 284.37 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 62883130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).