3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole

C11H17N3S — CID 86792642

IUPAC3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole
SMILESCSCCn1nc(C2CC2)nc1C1CC1
InChIInChI=1S/C11H17N3S/c1-15-7-6-14-11(9-4-5-9)12-10(13-14)8-2-3-8/h8-9H,2-7H2,1H3
InChIKeyOBUUWPGNVRCADM-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.40
Rot. Bonds5

About 3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole

3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole (PubChem CID 86792642) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole
PubChem CID86792642
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole
SMILESCSCCn1nc(C2CC2)nc1C1CC1
InChIInChI=1S/C11H17N3S/c1-15-7-6-14-11(9-4-5-9)12-10(13-14)8-2-3-8/h8-9H,2-7H2,1H3
InChIKeyOBUUWPGNVRCADM-UHFFFAOYSA-N
XLogP2.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole?
The IUPAC name of 3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole (CID 86792642) is 3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole.
What is the SMILES notation for 3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole?
The canonical SMILES for 3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole is CSCCn1nc(C2CC2)nc1C1CC1.
What is the InChIKey of 3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole?
The InChIKey is OBUUWPGNVRCADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-15-7-6-14-11(9-4-5-9)12-10(13-14)8-2-3-8/h8-9H,2-7H2,1H3.
What are the key properties of 3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole?
3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole has a molecular weight of 223.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dicyclopropyl-1-(2-methylsulfanylethyl)-1,2,4-triazole is sourced from PubChem (CID 86792642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).