6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C10H13N3OS — CID 130374155

IUPAC6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(S(C)=O)cn12
InChIInChI=1S/C10H13N3OS/c1-7(2)10-12-11-9-5-4-8(15(3)14)6-13(9)10/h4-7H,1-3H3
InChIKeyMXXLIYKXZMLROW-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.59
Rot. Bonds2

About 6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 130374155) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID130374155
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(S(C)=O)cn12
InChIInChI=1S/C10H13N3OS/c1-7(2)10-12-11-9-5-4-8(15(3)14)6-13(9)10/h4-7H,1-3H3
InChIKeyMXXLIYKXZMLROW-UHFFFAOYSA-N
XLogP1.59
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 130374155) is 6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2ccc(S(C)=O)cn12.
What is the InChIKey of 6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MXXLIYKXZMLROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(2)10-12-11-9-5-4-8(15(3)14)6-13(9)10/h4-7H,1-3H3.
What are the key properties of 6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 223.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 130374155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).