1-propan-2-yl-4-propan-2-ylsulfanyltriazole

C8H15N3S — CID 170416491

IUPAC1-propan-2-yl-4-propan-2-ylsulfanyltriazole
SMILESCC(C)Sc1cn(C(C)C)nn1
InChIInChI=1S/C8H15N3S/c1-6(2)11-5-8(9-10-11)12-7(3)4/h5-7H,1-4H3
InChIKeyFOZSANAPYMDDCH-UHFFFAOYSA-N
MW185.30 g/mol
LogP2.36
Rot. Bonds3

About 1-propan-2-yl-4-propan-2-ylsulfanyltriazole

1-propan-2-yl-4-propan-2-ylsulfanyltriazole (PubChem CID 170416491) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 1-propan-2-yl-4-propan-2-ylsulfanyltriazole.

Molecular Properties

Compound Name1-propan-2-yl-4-propan-2-ylsulfanyltriazole
PubChem CID170416491
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name1-propan-2-yl-4-propan-2-ylsulfanyltriazole
SMILESCC(C)Sc1cn(C(C)C)nn1
InChIInChI=1S/C8H15N3S/c1-6(2)11-5-8(9-10-11)12-7(3)4/h5-7H,1-4H3
InChIKeyFOZSANAPYMDDCH-UHFFFAOYSA-N
XLogP2.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-propan-2-ylsulfanyltriazole?
The IUPAC name of 1-propan-2-yl-4-propan-2-ylsulfanyltriazole (CID 170416491) is 1-propan-2-yl-4-propan-2-ylsulfanyltriazole.
What is the SMILES notation for 1-propan-2-yl-4-propan-2-ylsulfanyltriazole?
The canonical SMILES for 1-propan-2-yl-4-propan-2-ylsulfanyltriazole is CC(C)Sc1cn(C(C)C)nn1.
What is the InChIKey of 1-propan-2-yl-4-propan-2-ylsulfanyltriazole?
The InChIKey is FOZSANAPYMDDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6(2)11-5-8(9-10-11)12-7(3)4/h5-7H,1-4H3.
What are the key properties of 1-propan-2-yl-4-propan-2-ylsulfanyltriazole?
1-propan-2-yl-4-propan-2-ylsulfanyltriazole has a molecular weight of 185.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-propan-2-ylsulfanyltriazole is sourced from PubChem (CID 170416491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).