4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole

C11H15N3S — CID 115395669

IUPAC4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole
SMILESCc1ccc(-c2nncn2CC(C)C)s1
InChIInChI=1S/C11H15N3S/c1-8(2)6-14-7-12-13-11(14)10-5-4-9(3)15-10/h4-5,7-8H,6H2,1-3H3
InChIKeyKRRPLCQVZBUWSK-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.97
Rot. Bonds3

About 4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole

4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole (PubChem CID 115395669) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole
PubChem CID115395669
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole
SMILESCc1ccc(-c2nncn2CC(C)C)s1
InChIInChI=1S/C11H15N3S/c1-8(2)6-14-7-12-13-11(14)10-5-4-9(3)15-10/h4-5,7-8H,6H2,1-3H3
InChIKeyKRRPLCQVZBUWSK-UHFFFAOYSA-N
XLogP2.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)-1,2,4-triazole
CID 103123745
3-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395624
4,5-dimethyl-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]thiophen-2-amine
CID 62711251
3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113301392
3-(2,5-dibromothiophen-3-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 107967389
4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 115395542
3-(2-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113301449
3-(4-chloro-3-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113397407
4-(2-methylpropyl)-3-(4-methylsulfonylphenyl)-1,2,4-triazole
CID 115395713
3-(3-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395591
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline
CID 115395568
3-(2,3-difluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395501

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole?
The IUPAC name of 4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole (CID 115395669) is 4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole?
The canonical SMILES for 4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole is Cc1ccc(-c2nncn2CC(C)C)s1.
What is the InChIKey of 4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole?
The InChIKey is KRRPLCQVZBUWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8(2)6-14-7-12-13-11(14)10-5-4-9(3)15-10/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole?
4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole has a molecular weight of 221.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-3-(5-methylthiophen-2-yl)-1,2,4-triazole is sourced from PubChem (CID 115395669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).