2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole

C47H66N20S2 — CID 159835735

IUPAC2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole
SMILESCc1ccc(C)nc1.Cc1ccccn1.Cc1cccnc1C.Cc1ccnc(C)c1.Cc1cnsn1.Cc1ncn(C)n1.Cc1nsnc1C.Cn1ccnn1.Cn1cncn1.Cn1nccn1
InChIInChI=1S/3C7H9N.C6H7N.C4H7N3.C4H6N2S.3C3H5N3.C3H4N2S/c1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-4-2-3-5-7-6;1-4-5-3-7(2)6-4;1-3-4(2)6-7-5-3;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-2-4-6-5-3/h3*3-5H,1-2H3;2-5H,1H3;3H,1-2H3;1-2H3;3*2-3H,1H3;2H,1H3
InChIKeyNOAVOCMBIOWHRZ-UHFFFAOYSA-N
MW975.32 g/mol
LogP8.06
Rot. Bonds

About 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole

2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole (PubChem CID 159835735) has the molecular formula C47H66N20S2 and a molecular weight of 975.32 g/mol. Its IUPAC name is 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole.

Molecular Properties

Compound Name2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole
PubChem CID159835735
Molecular FormulaC47H66N20S2
Molecular Weight975.32 g/mol
Exact Mass974.52
IUPAC Name2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole
SMILESCc1ccc(C)nc1.Cc1ccccn1.Cc1cccnc1C.Cc1ccnc(C)c1.Cc1cnsn1.Cc1ncn(C)n1.Cc1nsnc1C.Cn1ccnn1.Cn1cncn1.Cn1nccn1
InChIInChI=1S/3C7H9N.C6H7N.C4H7N3.C4H6N2S.3C3H5N3.C3H4N2S/c1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-4-2-3-5-7-6;1-4-5-3-7(2)6-4;1-3-4(2)6-7-5-3;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-2-4-6-5-3/h3*3-5H,1-2H3;2-5H,1H3;3H,1-2H3;1-2H3;3*2-3H,1H3;2H,1H3
InChIKeyNOAVOCMBIOWHRZ-UHFFFAOYSA-N
XLogP8.06
TPSA225.96 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500975.32
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole with MolForge

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Related Compounds

2,4-dimethylpyridine;ethane;2-methylpyridine
CID 143179513
bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene
CID 163474708
2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);4,6-dimethylpyrimidine
CID 158053657
1,2-dimethylimidazole;2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
CID 160653083
2,3-dimethylpyridine;1,4-xylene
CID 174745079
2,6-dimethylanthracene;9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;ethane
CID 163573009
bis(2,5-dimethylpyrazine);bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethylpyrimidine;bis(2,5-dimethylpyrimidine);ethane
CID 160963900
bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);2,4-dimethylquinoline;ethane
CID 158190897
1-methylimidazole;2-methylpyrazine;1-methylpyrazole;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methylpyrrole;1-methyl-1,2,4-triazole
CID 159023055
1-methyltriazole;quinoline
CID 157432615
bis(2,3-dimethylpyridine);ethane
CID 159594018
1,5-dimethylpyrazole;2,4-dimethylpyridine;methane
CID 167606075

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole?
The IUPAC name of 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole (CID 159835735) is 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole.
What is the SMILES notation for 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole?
The canonical SMILES for 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole is Cc1ccc(C)nc1.Cc1ccccn1.Cc1cccnc1C.Cc1ccnc(C)c1.Cc1cnsn1.Cc1ncn(C)n1.Cc1nsnc1C.Cn1ccnn1.Cn1cncn1.Cn1nccn1.
What is the InChIKey of 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole?
The InChIKey is NOAVOCMBIOWHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H9N.C6H7N.C4H7N3.C4H6N2S.3C3H5N3.C3H4N2S/c1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-4-2-3-5-7-6;1-4-5-3-7(2)6-4;1-3-4(2)6-7-5-3;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-2-4-6-5-3/h3*3-5H,1-2H3;2-5H,1H3;3H,1-2H3;1-2H3;3*2-3H,1H3;2H,1H3.
What are the key properties of 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole?
2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole has a molecular weight of 975.32 g/mol, XLogP of 8.06, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethyl-1,2,5-thiadiazole;1,3-dimethyl-1,2,4-triazole;2-methylpyridine;3-methyl-1,2,5-thiadiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole is sourced from PubChem (CID 159835735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).