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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(1,1-dioxidotetrahydro-3-thienyl)-3-pyridin-2-yl-1H-1,2,4-triazol-5-yl]-2-methoxypyridine
CID 72921023
1-ethyl-3-(6-methoxypyridin-3-yl)-N,N-dimethyl-1H-1,2,4-triazol-5-amine
CID 72933885
1-[5-(2-Methoxy-4-pyridinyl)-1,2,4-triazol-1-yl]-2-methylpropan-2-ol
CID 131909925
2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 157012072
5-ethyl-N-(1-ethylsulfanylpropan-2-yl)-N-methyl-4-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2,4-triazol-3-amine
CID 166351689
5-ethyl-N-methyl-N-(thian-3-yl)-4-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1,2,4-triazol-3-amine
CID 166351694
N-[[1-(3,3-difluorocyclobutyl)tetrazol-5-yl]-(2-methoxy-3-pyridinyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 166388432
2-Methoxy-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylsulfonylmethyl]-6-(trifluoromethyl)pyridine
CID 167956314
2-Methoxy-4-methyl-5-[[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]methylsulfonylmethyl]pyridine
CID 167988289
2-Methoxy-4-(4-methyl-5-methylsulfanyl-4h-[1,2,4]triazol-3-yl)-pyridine
CID 24851708
4-(5-Methanesulfonyl-4-methyl-4h-[1,2,4]triazol-3-yl)-2-methoxy-pyridine
CID 24851812
2-Methoxy-5-(4-methyl-5-pent-4-enyl-1,2,4-triazol-3-yl)pyridine
CID 57691910

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).