3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol

C11H14N4OS — CID 155461384

IUPAC3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCSc1nnc(CCCO)n1-c1cccnc1
InChIInChI=1S/C11H14N4OS/c1-17-11-14-13-10(5-3-7-16)15(11)9-4-2-6-12-8-9/h2,4,6,8,16H,3,5,7H2,1H3
InChIKeyYFJCJVSUEUFSJU-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.31
Rot. Bonds5

About 3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol

3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol (PubChem CID 155461384) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol
PubChem CID155461384
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol
SMILESCSc1nnc(CCCO)n1-c1cccnc1
InChIInChI=1S/C11H14N4OS/c1-17-11-14-13-10(5-3-7-16)15(11)9-4-2-6-12-8-9/h2,4,6,8,16H,3,5,7H2,1H3
InChIKeyYFJCJVSUEUFSJU-UHFFFAOYSA-N
XLogP1.31
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol?
The IUPAC name of 3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol (CID 155461384) is 3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol?
The canonical SMILES for 3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol is CSc1nnc(CCCO)n1-c1cccnc1.
What is the InChIKey of 3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol?
The InChIKey is YFJCJVSUEUFSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-17-11-14-13-10(5-3-7-16)15(11)9-4-2-6-12-8-9/h2,4,6,8,16H,3,5,7H2,1H3.
What are the key properties of 3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol?
3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol has a molecular weight of 250.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol is sourced from PubChem (CID 155461384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).