4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole

C6H7N5S — CID 115394758

IUPAC4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole
SMILESCCn1cnnc1-c1csnn1
InChIInChI=1S/C6H7N5S/c1-2-11-4-7-9-6(11)5-3-12-10-8-5/h3-4H,2H2,1H3
InChIKeyNZRFFBHGYWVXOT-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.82
Rot. Bonds2

About 4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole

4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole (PubChem CID 115394758) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole.

Molecular Properties

Compound Name4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole
PubChem CID115394758
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole
SMILESCCn1cnnc1-c1csnn1
InChIInChI=1S/C6H7N5S/c1-2-11-4-7-9-6(11)5-3-12-10-8-5/h3-4H,2H2,1H3
InChIKeyNZRFFBHGYWVXOT-UHFFFAOYSA-N
XLogP0.82
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethyl-1,2,4-triazol-3-yl)-1,3-thiazole
CID 115394689
3-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazole
CID 115394687
5-(4-ethyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazole
CID 115394795
3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole
CID 115394797
4-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-triazole
CID 115394639
3-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,2,4-triazole
CID 82819204
3-(4-ethyl-1,2,4-triazol-3-yl)-5-methylpyridine
CID 115394647
3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline
CID 62694280
4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole
CID 69250902
4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole
CID 115394918
2-(4-propyl-1,2,4-triazol-3-yl)pyridine
CID 115394967
4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylaniline
CID 62693006

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole?
The IUPAC name of 4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole (CID 115394758) is 4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole.
What is the SMILES notation for 4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole?
The canonical SMILES for 4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole is CCn1cnnc1-c1csnn1.
What is the InChIKey of 4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole?
The InChIKey is NZRFFBHGYWVXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c1-2-11-4-7-9-6(11)5-3-12-10-8-5/h3-4H,2H2,1H3.
What are the key properties of 4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole?
4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole has a molecular weight of 181.22 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-1,2,4-triazol-3-yl)thiadiazole is sourced from PubChem (CID 115394758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).