1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine

C26H51N7O — CID 161492204

IUPAC1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine
SMILESCC.CC.CC.CC.CC.Cc1ncn(C)n1.Cn1cccn1.c1ccncc1.c1cnoc1
InChIInChI=1S/C5H5N.C4H7N3.C4H6N2.C3H3NO.5C2H6/c1-2-4-6-5-3-1;1-4-5-3-7(2)6-4;1-6-4-2-3-5-6;1-2-4-5-3-1;5*1-2/h1-5H;3H,1-2H3;2-4H,1H3;1-3H;5*1-2H3
InChIKeyWFTKZIROUFJSJA-UHFFFAOYSA-N
MW477.74 g/mol
LogP7.43
Rot. Bonds

About 1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine

1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine (PubChem CID 161492204) has the molecular formula C26H51N7O and a molecular weight of 477.74 g/mol. Its IUPAC name is 1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine.

Molecular Properties

Compound Name1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine
PubChem CID161492204
Molecular FormulaC26H51N7O
Molecular Weight477.74 g/mol
Exact Mass477.42
IUPAC Name1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine
SMILESCC.CC.CC.CC.CC.Cc1ncn(C)n1.Cn1cccn1.c1ccncc1.c1cnoc1
InChIInChI=1S/C5H5N.C4H7N3.C4H6N2.C3H3NO.5C2H6/c1-2-4-6-5-3-1;1-4-5-3-7(2)6-4;1-6-4-2-3-5-6;1-2-4-5-3-1;5*1-2/h1-5H;3H,1-2H3;2-4H,1H3;1-3H;5*1-2H3
InChIKeyWFTKZIROUFJSJA-UHFFFAOYSA-N
XLogP7.43
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.74
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;pentakis(2-methylpropane);1,2-oxazole;1H-pyrazole;bis(pyridine);[1,2,4]triazolo[1,5-a]pyridine
CID 158378466
methane;1,2-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);tris(3H-pyrrole);4H-triazole
CID 160715957
Benzene;tert-butylcyclopropane;tris(2,2-dimethylpropane);ethane;bis(2-methylpropane);1-methylpyrazole;1,2-oxazole;pyridine;pyrimidine
CID 160817188
1H-imidazole;1,2-oxazole;1H-pyrazole;pyridine;1H-1,2,4-triazole
CID 161574184
1,2-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);tris(3H-pyrrole);4H-triazole
CID 161982603
5-Methyl-3-[4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-1,2-oxazole
CID 174566748
4-(2-Phenyl-1,2,4-triazol-3-yl)-1,2-oxazole
CID 57746096

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine?
The IUPAC name of 1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine (CID 161492204) is 1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine.
What is the SMILES notation for 1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine?
The canonical SMILES for 1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine is CC.CC.CC.CC.CC.Cc1ncn(C)n1.Cn1cccn1.c1ccncc1.c1cnoc1.
What is the InChIKey of 1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine?
The InChIKey is WFTKZIROUFJSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H7N3.C4H6N2.C3H3NO.5C2H6/c1-2-4-6-5-3-1;1-4-5-3-7(2)6-4;1-6-4-2-3-5-6;1-2-4-5-3-1;5*1-2/h1-5H;3H,1-2H3;2-4H,1H3;1-3H;5*1-2H3.
What are the key properties of 1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine?
1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine has a molecular weight of 477.74 g/mol, XLogP of 7.43, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,2,4-triazole;ethane;1-methylpyrazole;1,2-oxazole;pyridine is sourced from PubChem (CID 161492204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).