5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol

C8H14N4OS — CID 16671824

IUPAC5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol
SMILESCSc1nnc(C2CC(O)CN2)n1C
InChIInChI=1S/C8H14N4OS/c1-12-7(10-11-8(12)14-2)6-3-5(13)4-9-6/h5-6,9,13H,3-4H2,1-2H3
InChIKeyMCRSYZHNGPQWRI-UHFFFAOYSA-N
MW214.29 g/mol
LogP-0.07
Rot. Bonds2

About 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol

5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol (PubChem CID 16671824) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol
PubChem CID16671824
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol
SMILESCSc1nnc(C2CC(O)CN2)n1C
InChIInChI=1S/C8H14N4OS/c1-12-7(10-11-8(12)14-2)6-3-5(13)4-9-6/h5-6,9,13H,3-4H2,1-2H3
InChIKeyMCRSYZHNGPQWRI-UHFFFAOYSA-N
XLogP-0.07
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol?
The IUPAC name of 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol (CID 16671824) is 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol is CSc1nnc(C2CC(O)CN2)n1C.
What is the InChIKey of 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol?
The InChIKey is MCRSYZHNGPQWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-12-7(10-11-8(12)14-2)6-3-5(13)4-9-6/h5-6,9,13H,3-4H2,1-2H3.
What are the key properties of 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol?
5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol has a molecular weight of 214.29 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 16671824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).