2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole

C27H36N12 — CID 159396438

IUPAC2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncc[nH]1.Cc1ncn[nH]1.Cc1nn[nH]n1
InChIInChI=1S/3C6H7N.C4H6N2.C3H5N3.C2H4N4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-5-2-3-6-4;1-3-4-2-5-6-3;1-2-3-5-6-4-2/h3*2-5H,1H3;2-3H,1H3,(H,5,6);2H,1H3,(H,4,5,6);1H3,(H,3,4,5,6)
InChIKeyLMTXURVQNIPCNA-UHFFFAOYSA-N
MW528.67 g/mol
LogP4.51
Rot. Bonds

About 2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole

2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole (PubChem CID 159396438) has the molecular formula C27H36N12 and a molecular weight of 528.67 g/mol. Its IUPAC name is 2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole
PubChem CID159396438
Molecular FormulaC27H36N12
Molecular Weight528.67 g/mol
Exact Mass528.32
IUPAC Name2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncc[nH]1.Cc1ncn[nH]1.Cc1nn[nH]n1
InChIInChI=1S/3C6H7N.C4H6N2.C3H5N3.C2H4N4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-5-2-3-6-4;1-3-4-2-5-6-3;1-2-3-5-6-4-2/h3*2-5H,1H3;2-3H,1H3,(H,5,6);2H,1H3,(H,4,5,6);1H3,(H,3,4,5,6)
InChIKeyLMTXURVQNIPCNA-UHFFFAOYSA-N
XLogP4.51
TPSA163.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.67
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole?
The IUPAC name of 2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole (CID 159396438) is 2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole is Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncc[nH]1.Cc1ncn[nH]1.Cc1nn[nH]n1.
What is the InChIKey of 2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole?
The InChIKey is LMTXURVQNIPCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.C4H6N2.C3H5N3.C2H4N4/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-5-2-3-6-4;1-3-4-2-5-6-3;1-2-3-5-6-4-2/h3*2-5H,1H3;2-3H,1H3,(H,5,6);2H,1H3,(H,4,5,6);1H3,(H,3,4,5,6).
What are the key properties of 2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole?
2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 528.67 g/mol, XLogP of 4.51, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-2H-tetrazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 159396438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).