1-(2-methylpropyl)-5-methylsulfanyltriazole

C7H13N3S — CID 21395397

IUPAC1-(2-methylpropyl)-5-methylsulfanyltriazole
SMILESCSc1cnnn1CC(C)C
InChIInChI=1S/C7H13N3S/c1-6(2)5-10-7(11-3)4-8-9-10/h4,6H,5H2,1-3H3
InChIKeyPRZXUTNLGZROTN-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.66
Rot. Bonds3

About 1-(2-methylpropyl)-5-methylsulfanyltriazole

1-(2-methylpropyl)-5-methylsulfanyltriazole (PubChem CID 21395397) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-methylsulfanyltriazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-methylsulfanyltriazole
PubChem CID21395397
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name1-(2-methylpropyl)-5-methylsulfanyltriazole
SMILESCSc1cnnn1CC(C)C
InChIInChI=1S/C7H13N3S/c1-6(2)5-10-7(11-3)4-8-9-10/h4,6H,5H2,1-3H3
InChIKeyPRZXUTNLGZROTN-UHFFFAOYSA-N
XLogP1.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-methylsulfanyltriazole?
The IUPAC name of 1-(2-methylpropyl)-5-methylsulfanyltriazole (CID 21395397) is 1-(2-methylpropyl)-5-methylsulfanyltriazole.
What is the SMILES notation for 1-(2-methylpropyl)-5-methylsulfanyltriazole?
The canonical SMILES for 1-(2-methylpropyl)-5-methylsulfanyltriazole is CSc1cnnn1CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-5-methylsulfanyltriazole?
The InChIKey is PRZXUTNLGZROTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-6(2)5-10-7(11-3)4-8-9-10/h4,6H,5H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-5-methylsulfanyltriazole?
1-(2-methylpropyl)-5-methylsulfanyltriazole has a molecular weight of 171.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-methylsulfanyltriazole is sourced from PubChem (CID 21395397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).