5-methylsulfanyl-1-propyltriazole

C6H11N3S — CID 21395373

IUPAC5-methylsulfanyl-1-propyltriazole
SMILESCCCn1nncc1SC
InChIInChI=1S/C6H11N3S/c1-3-4-9-6(10-2)5-7-8-9/h5H,3-4H2,1-2H3
InChIKeyITNUJPOOKITDOM-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.41
Rot. Bonds3

About 5-methylsulfanyl-1-propyltriazole

5-methylsulfanyl-1-propyltriazole (PubChem CID 21395373) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 5-methylsulfanyl-1-propyltriazole.

Molecular Properties

Compound Name5-methylsulfanyl-1-propyltriazole
PubChem CID21395373
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name5-methylsulfanyl-1-propyltriazole
SMILESCCCn1nncc1SC
InChIInChI=1S/C6H11N3S/c1-3-4-9-6(10-2)5-7-8-9/h5H,3-4H2,1-2H3
InChIKeyITNUJPOOKITDOM-UHFFFAOYSA-N
XLogP1.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-1,2,3-Triazole, 1-methyl-5-methylthio-
CID 141989
5-Ethylsulfanyl-1-methyltriazole
CID 12502187
1-Butyl-5-methylsulfanyltriazole
CID 21395392
1-Ethyl-5-methylsulfanyltriazole
CID 21395422
1H-1,2,3-Triazole, 1-methyl-4-methylthio-
CID 142109
1-[(2,2-Difluorocyclopropyl)methyl]-5-methylsulfanyltriazole
CID 167245624
1-Ethyl-5-ethylsulfanyltriazole
CID 12502188
5-Methylsulfanyl-1-prop-2-enyltriazole
CID 12502189
5-Ethylsulfanyl-1-prop-2-enyltriazole
CID 12502190
1-Cyclohexyl-5-methylsulfanyltriazole
CID 134912337
5-Methyl-5,6-dihydro[1,3]-thiazolo[3,2-c][1,2,3]triazole
CID 154724312
1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt
CID 141908

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-propyltriazole?
The IUPAC name of 5-methylsulfanyl-1-propyltriazole (CID 21395373) is 5-methylsulfanyl-1-propyltriazole.
What is the SMILES notation for 5-methylsulfanyl-1-propyltriazole?
The canonical SMILES for 5-methylsulfanyl-1-propyltriazole is CCCn1nncc1SC.
What is the InChIKey of 5-methylsulfanyl-1-propyltriazole?
The InChIKey is ITNUJPOOKITDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-3-4-9-6(10-2)5-7-8-9/h5H,3-4H2,1-2H3.
What are the key properties of 5-methylsulfanyl-1-propyltriazole?
5-methylsulfanyl-1-propyltriazole has a molecular weight of 157.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-propyltriazole is sourced from PubChem (CID 21395373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).