1-methyl-4-propylsulfanyltriazole

C6H11N3S — CID 54146010

IUPAC1-methyl-4-propylsulfanyltriazole
SMILESCCCSc1cn(C)nn1
InChIInChI=1S/C6H11N3S/c1-3-4-10-6-5-9(2)8-7-6/h5H,3-4H2,1-2H3
InChIKeySAZQQBTYIQZQTL-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.32
Rot. Bonds3

About 1-methyl-4-propylsulfanyltriazole

1-methyl-4-propylsulfanyltriazole (PubChem CID 54146010) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 1-methyl-4-propylsulfanyltriazole.

Molecular Properties

Compound Name1-methyl-4-propylsulfanyltriazole
PubChem CID54146010
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name1-methyl-4-propylsulfanyltriazole
SMILESCCCSc1cn(C)nn1
InChIInChI=1S/C6H11N3S/c1-3-4-10-6-5-9(2)8-7-6/h5H,3-4H2,1-2H3
InChIKeySAZQQBTYIQZQTL-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 141989
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CID 12502187
CID 12502187
CID 21395392
CID 21395392
CID 21395422
CID 21395422
CID 142109
CID 142109
CID 12502188
CID 12502188
CID 12502189
CID 12502189
CID 12502190
CID 12502190
CID 10081606
CID 10081606
CID 20516630
CID 20516630
CID 21395373
CID 21395373
CID 21395377
CID 21395377

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propylsulfanyltriazole?
The IUPAC name of 1-methyl-4-propylsulfanyltriazole (CID 54146010) is 1-methyl-4-propylsulfanyltriazole.
What is the SMILES notation for 1-methyl-4-propylsulfanyltriazole?
The canonical SMILES for 1-methyl-4-propylsulfanyltriazole is CCCSc1cn(C)nn1.
What is the InChIKey of 1-methyl-4-propylsulfanyltriazole?
The InChIKey is SAZQQBTYIQZQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-3-4-10-6-5-9(2)8-7-6/h5H,3-4H2,1-2H3.
What are the key properties of 1-methyl-4-propylsulfanyltriazole?
1-methyl-4-propylsulfanyltriazole has a molecular weight of 157.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propylsulfanyltriazole is sourced from PubChem (CID 54146010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).