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

C59H75N21 — CID 159023055

IUPAC1-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
SMILESCc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cnccn1.Cc1ncccn1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cncn1
InChIInChI=1S/3C6H7N.5C5H6N2.C5H7N.2C4H6N2.C3H5N3/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-6-3-4-2-5-6/h3*2-5H,1H3;5*2-4H,1H3;2-5H,1H3;2*2-4H,1H3;2-3H,1H3
InChIKeyJTYBCNJYDNIGAX-UHFFFAOYSA-N
MW1078.40 g/mol
LogP9.78
Rot. Bonds

About 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

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 (PubChem CID 159023055) has the molecular formula C59H75N21 and a molecular weight of 1078.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159023055
Molecular FormulaC59H75N21
Molecular Weight1078.40 g/mol
Exact Mass1077.65
IUPAC Name1-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
SMILESCc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cnccn1.Cc1ncccn1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cncn1
InChIInChI=1S/3C6H7N.5C5H6N2.C5H7N.2C4H6N2.C3H5N3/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-6-3-4-2-5-6/h3*2-5H,1H3;5*2-4H,1H3;2-5H,1H3;2*2-4H,1H3;2-3H,1H3
InChIKeyJTYBCNJYDNIGAX-UHFFFAOYSA-N
XLogP9.78
TPSA238.85 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms80
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001078.40
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cnccn1.Cc1ncccn1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.
What is the InChIKey of 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?
The InChIKey is JTYBCNJYDNIGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.5C5H6N2.C5H7N.2C4H6N2.C3H5N3/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-6-3-4-2-5-6/h3*2-5H,1H3;5*2-4H,1H3;2-5H,1H3;2*2-4H,1H3;2-3H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1078.40 g/mol, XLogP of 9.78, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159023055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).