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

C10H14N6OS2 — CID 62883131

IUPAC4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
SMILESCCNc1snnc1CSc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C10H14N6OS2/c1-2-11-8-7(12-15-19-8)5-18-10-14-13-9(17)16(10)6-3-4-6/h6,11H,2-5H2,1H3,(H,13,17)
InChIKeyRXNIWCMKJIWJPF-UHFFFAOYSA-N
MW298.40 g/mol
LogP1.48
Rot. Bonds6

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

4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one (PubChem CID 62883131) has the molecular formula C10H14N6OS2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
PubChem CID62883131
Molecular FormulaC10H14N6OS2
Molecular Weight298.40 g/mol
Exact Mass298.07
IUPAC Name4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
SMILESCCNc1snnc1CSc1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C10H14N6OS2/c1-2-11-8-7(12-15-19-8)5-18-10-14-13-9(17)16(10)6-3-4-6/h6,11H,2-5H2,1H3,(H,13,17)
InChIKeyRXNIWCMKJIWJPF-UHFFFAOYSA-N
XLogP1.48
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-ethyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 55129098
3-[(5-aminothiadiazol-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 55129148
3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 55129194
3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 55129276
3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 62882078
3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 62882079
4-propan-2-yl-3-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 62882080
3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 62882606
3-[(5-aminothiadiazol-4-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 62882776
3-[(5-aminothiadiazol-4-yl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 62882778
4-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 62882780
4-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 62883130

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one (CID 62883131) is 4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one is CCNc1snnc1CSc1n[nH]c(=O)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
The InChIKey is RXNIWCMKJIWJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS2/c1-2-11-8-7(12-15-19-8)5-18-10-14-13-9(17)16(10)6-3-4-6/h6,11H,2-5H2,1H3,(H,13,17).
What are the key properties of 4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one?
4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one has a molecular weight of 298.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 62883131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).