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

C10H11N3S — CID 61337136

IUPAC5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole
SMILESCc1ccc(-c2n[nH]c(C3CC3)n2)s1
InChIInChI=1S/C10H11N3S/c1-6-2-5-8(14-6)10-11-9(12-13-10)7-3-4-7/h2,5,7H,3-4H2,1H3,(H,11,12,13)
InChIKeyDJVOJILKMFFBBS-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.72
Rot. Bonds2

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

5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole (PubChem CID 61337136) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole
PubChem CID61337136
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole
SMILESCc1ccc(-c2n[nH]c(C3CC3)n2)s1
InChIInChI=1S/C10H11N3S/c1-6-2-5-8(14-6)10-11-9(12-13-10)7-3-4-7/h2,5,7H,3-4H2,1H3,(H,11,12,13)
InChIKeyDJVOJILKMFFBBS-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole (CID 61337136) is 5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole is Cc1ccc(-c2n[nH]c(C3CC3)n2)s1.
What is the InChIKey of 5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole?
The InChIKey is DJVOJILKMFFBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-6-2-5-8(14-6)10-11-9(12-13-10)7-3-4-7/h2,5,7H,3-4H2,1H3,(H,11,12,13).
What are the key properties of 5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole?
5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole has a molecular weight of 205.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(5-methylthiophen-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 61337136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).