benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole

C36H50N10O — CID 159432957

IUPACbenzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole
SMILESC.C.CC1=NCC=N1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncn[nH]1.Cc1nnco1.c1ccccc1
InChIInChI=1S/3C6H7N.C6H6.C4H6N2.C3H5N3.C3H4N2O.2CH4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;1-4-5-2-3-6-4;1-3-4-2-5-6-3;1-3-5-4-2-6-3;;/h3*2-5H,1H3;1-6H;2H,3H2,1H3;2H,1H3,(H,4,5,6);2H,1H3;2*1H4
InChIKeyLRFGFHSEICAFCU-UHFFFAOYSA-N
MW638.87 g/mol
LogP8.11
Rot. Bonds

About benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole

benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole (PubChem CID 159432957) has the molecular formula C36H50N10O and a molecular weight of 638.87 g/mol. Its IUPAC name is benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Namebenzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole
PubChem CID159432957
Molecular FormulaC36H50N10O
Molecular Weight638.87 g/mol
Exact Mass638.42
IUPAC Namebenzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole
SMILESC.C.CC1=NCC=N1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncn[nH]1.Cc1nnco1.c1ccccc1
InChIInChI=1S/3C6H7N.C6H6.C4H6N2.C3H5N3.C3H4N2O.2CH4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;1-4-5-2-3-6-4;1-3-4-2-5-6-3;1-3-5-4-2-6-3;;/h3*2-5H,1H3;1-6H;2H,3H2,1H3;2H,1H3,(H,4,5,6);2H,1H3;2*1H4
InChIKeyLRFGFHSEICAFCU-UHFFFAOYSA-N
XLogP8.11
TPSA143.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.87
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole with MolForge

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Related Compounds

2,6-Bis(3-(pyrid-4-yl)-1,2,4-triazolyl)pyridine
CID 139146599
(2Z,4Z)-6-imino-3,5-bis(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)hepta-2,4-dien-2-amine
CID 145644977
methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine
CID 158045085
benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole
CID 158167075
benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole
CID 158555841
2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yltriazole
CID 158953303
benzene;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole
CID 159262980
benzene;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole
CID 159920709
benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;5-methyl-1H-1,2,4-triazole
CID 160063408
benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;3-methylpyridine;5-methyl-1H-1,2,4-triazole
CID 160424588
benzene;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;2-methylpyridine;3-methylpyridine;5-methyl-2H-tetrazole
CID 160428284
methane;2-phenylacetaldehyde;3-[5-(3-phenylpropyl)-1H-1,2,4-triazol-3-yl]pyridine;5-pyridin-3-yl-1H-1,2,4-triazol-3-amine
CID 160519606

Frequently Asked Questions

What is the IUPAC name of benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole?
The IUPAC name of benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole (CID 159432957) is benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole is C.C.CC1=NCC=N1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncn[nH]1.Cc1nnco1.c1ccccc1.
What is the InChIKey of benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole?
The InChIKey is LRFGFHSEICAFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.C6H6.C4H6N2.C3H5N3.C3H4N2O.2CH4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;1-4-5-2-3-6-4;1-3-4-2-5-6-3;1-3-5-4-2-6-3;;/h3*2-5H,1H3;1-6H;2H,3H2,1H3;2H,1H3,(H,4,5,6);2H,1H3;2*1H4.
What are the key properties of benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole?
benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole has a molecular weight of 638.87 g/mol, XLogP of 8.11, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methane;2-methyl-4H-imidazole;2-methyl-1,3,4-oxadiazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 159432957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).