1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

C49H67N27S — CID 158606107

IUPAC1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ccncn1.Cc1cscn1.Cc1ncccn1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nnnn1
InChIInChI=1S/3C6H7N.2C5H6N2.2C4H6N2.C4H5NS.2C3H5N3.C2H4N4.CH3N5/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-2-3-4-5-6;1-6-4-2-3-5-6/h3*2-5H,1H3;2*2-4H,1H3;2*2-4H,1H3;3*2-3H,1H3;2H,1H3;1H3
InChIKeyHWFZTTBVMVEVNY-UHFFFAOYSA-N
MW1066.33 g/mol
LogP5.48
Rot. Bonds

About 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (PubChem CID 158606107) has the molecular formula C49H67N27S and a molecular weight of 1066.33 g/mol. Its IUPAC name is 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
PubChem CID158606107
Molecular FormulaC49H67N27S
Molecular Weight1066.33 g/mol
Exact Mass1065.58
IUPAC Name1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ccncn1.Cc1cscn1.Cc1ncccn1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nnnn1
InChIInChI=1S/3C6H7N.2C5H6N2.2C4H6N2.C4H5NS.2C3H5N3.C2H4N4.CH3N5/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-2-3-4-5-6;1-6-4-2-3-5-6/h3*2-5H,1H3;2*2-4H,1H3;2*2-4H,1H3;3*2-3H,1H3;2H,1H3;1H3
InChIKeyHWFZTTBVMVEVNY-UHFFFAOYSA-N
XLogP5.48
TPSA300.27 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001066.33
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole with MolForge

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Related Compounds

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N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
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US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-4-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
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2-[7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole
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10-[2-[4-[2-Fluoro-5-(2-methyl-1,3-thiazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 16129438
2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
2-Chloro-1-methyl-4-(trifluoromethyl)imidazole;bis(1,5-dimethyl-3-(trifluoromethyl)pyrazole);1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)imidazole;1-methyl-3-(trifluoromethyl)pyrazole;4-methyl-2-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyrimidine;4-methyl-2-(trifluoromethyl)thiophene;1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 157527051
6-Tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;7-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 157776256
Pentakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4,5-dimethylimidazol-3-id-2-yl)pyrazine;pentakis(iridium);2-pyrazol-2-id-3-ylpyrazine;2-pyrazol-2-id-3-ylpyridine;2-pyrazol-2-id-3-yl-1,3-thiazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 160144606
6-Tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine;methane
CID 160244918
tris(3,5-dimethylpyridin-2-amine);4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;4,5-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;3-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyrimidin-2-amine;5-methylpyrazin-2-amine;6-methylpyridazin-3-amine;2-methylpyridin-3-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;5-methylpyridin-3-amine;6-methylpyridin-3-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;5-methyl-4-(trifluoromethyl)pyrimidin-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 160308173
6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 160547492

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The IUPAC name of 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (CID 158606107) is 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.
What is the SMILES notation for 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The canonical SMILES for 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ccncn1.Cc1cscn1.Cc1ncccn1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nnnn1.
What is the InChIKey of 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The InChIKey is HWFZTTBVMVEVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.2C5H6N2.2C4H6N2.C4H5NS.2C3H5N3.C2H4N4.CH3N5/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-3-6-4-7-5;1-5-6-3-2-4-7-5;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-2-3-4-5-6;1-6-4-2-3-5-6/h3*2-5H,1H3;2*2-4H,1H3;2*2-4H,1H3;3*2-3H,1H3;2H,1H3;1H3.
What are the key properties of 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole has a molecular weight of 1066.33 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;1-methyltetrazole;4-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 158606107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).