5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole

C9H11N5S — CID 115394316

IUPAC5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole
SMILESCCc1nnsc1-c1nncn1C1CC1
InChIInChI=1S/C9H11N5S/c1-2-7-8(15-13-11-7)9-12-10-5-14(9)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyQASWKATXEVFCBI-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.69
Rot. Bonds3

About 5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole

5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole (PubChem CID 115394316) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole.

Molecular Properties

Compound Name5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole
PubChem CID115394316
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole
SMILESCCc1nnsc1-c1nncn1C1CC1
InChIInChI=1S/C9H11N5S/c1-2-7-8(15-13-11-7)9-12-10-5-14(9)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyQASWKATXEVFCBI-UHFFFAOYSA-N
XLogP1.69
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-phenyl-1,2,4-triazol-3-yl)-4-propylthiadiazole
CID 115393428
4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole
CID 113301146
2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline
CID 62694901
4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole
CID 115394164
2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid
CID 66043585
4-cyclopropyl-3-(2-propoxyethyl)-1,2,4-triazole
CID 115394287
4-cyclopropyl-1,2,4-triazole-3-carbaldehyde
CID 83872252
2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol
CID 62696230
4-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]butanoic acid
CID 66044622
1-cyclopropyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105157139
3-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrazin-2-amine
CID 63260133
4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole
CID 136935234

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole?
The IUPAC name of 5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole (CID 115394316) is 5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole.
What is the SMILES notation for 5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole?
The canonical SMILES for 5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole is CCc1nnsc1-c1nncn1C1CC1.
What is the InChIKey of 5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole?
The InChIKey is QASWKATXEVFCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-2-7-8(15-13-11-7)9-12-10-5-14(9)6-3-4-6/h5-6H,2-4H2,1H3.
What are the key properties of 5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole?
5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole has a molecular weight of 221.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-ethylthiadiazole is sourced from PubChem (CID 115394316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).