2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine

C14H20N4O3S — CID 167779983

IUPAC2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine
SMILESCOc1cc(C)c(CS(=O)(=O)Cc2ncnn2C(C)C)cn1
InChIInChI=1S/C14H20N4O3S/c1-10(2)18-13(16-9-17-18)8-22(19,20)7-12-6-15-14(21-4)5-11(12)3/h5-6,9-10H,7-8H2,1-4H3
InChIKeyMSVSWFICZHPYIC-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.69
Rot. Bonds6

About 2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine

2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine (PubChem CID 167779983) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine.

Molecular Properties

Compound Name2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine
PubChem CID167779983
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine
SMILESCOc1cc(C)c(CS(=O)(=O)Cc2ncnn2C(C)C)cn1
InChIInChI=1S/C14H20N4O3S/c1-10(2)18-13(16-9-17-18)8-22(19,20)7-12-6-15-14(21-4)5-11(12)3/h5-6,9-10H,7-8H2,1-4H3
InChIKeyMSVSWFICZHPYIC-UHFFFAOYSA-N
XLogP1.69
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine?
The IUPAC name of 2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine (CID 167779983) is 2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine.
What is the SMILES notation for 2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine?
The canonical SMILES for 2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine is COc1cc(C)c(CS(=O)(=O)Cc2ncnn2C(C)C)cn1.
What is the InChIKey of 2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine?
The InChIKey is MSVSWFICZHPYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-10(2)18-13(16-9-17-18)8-22(19,20)7-12-6-15-14(21-4)5-11(12)3/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine?
2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine has a molecular weight of 324.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonylmethyl]pyridine is sourced from PubChem (CID 167779983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).