3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole

C9H11N3S — CID 115395259

IUPAC3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole
SMILESCCc1ccc(-c2nncn2C)s1
InChIInChI=1S/C9H11N3S/c1-3-7-4-5-8(13-7)9-11-10-6-12(9)2/h4-6H,3H2,1-2H3
InChIKeyKIKLRWIMKAISLS-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.11
Rot. Bonds2

About 3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole

3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole (PubChem CID 115395259) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole
PubChem CID115395259
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole
SMILESCCc1ccc(-c2nncn2C)s1
InChIInChI=1S/C9H11N3S/c1-3-7-4-5-8(13-7)9-11-10-6-12(9)2/h4-6H,3H2,1-2H3
InChIKeyKIKLRWIMKAISLS-UHFFFAOYSA-N
XLogP2.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393561
2-(5-ethylthiophen-2-yl)-1-methylimidazole
CID 145483602
3-(5-bromothiophen-2-yl)-4-propyl-1,2,4-triazole
CID 115395179
1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine
CID 83216758
N-[(5-bromothiophen-2-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43686638
2,5-diethylthiophene
CID 521294
2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole
CID 63384084
3-(5-ethylthiophen-2-yl)-1-methyl-4-propylpyrazol-5-amine
CID 79406046
[4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol
CID 106003653
3-ethyl-6-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyridazine
CID 104673234
bis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane
CID 101433570
4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole
CID 136631027

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole (CID 115395259) is 3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole is CCc1ccc(-c2nncn2C)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole?
The InChIKey is KIKLRWIMKAISLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-3-7-4-5-8(13-7)9-11-10-6-12(9)2/h4-6H,3H2,1-2H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole?
3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole has a molecular weight of 193.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 115395259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).