1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

C43H60N24S2 — CID 158773770

IUPAC1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cncs1.Cc1cscn1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nnnn1
InChIInChI=1S/3C6H7N.2C4H6N2.2C4H5NS.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;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;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;4*2-3H,1H3;2H,1H3;1H3
InChIKeyIQFDIFVHFNEYEE-UHFFFAOYSA-N
MW977.25 g/mol
LogP5.36
Rot. Bonds

About 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (PubChem CID 158773770) has the molecular formula C43H60N24S2 and a molecular weight of 977.25 g/mol. Its IUPAC name is 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-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;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
PubChem CID158773770
Molecular FormulaC43H60N24S2
Molecular Weight977.25 g/mol
Exact Mass976.49
IUPAC Name1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cncs1.Cc1cscn1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nnnn1
InChIInChI=1S/3C6H7N.2C4H6N2.2C4H5NS.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;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;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;4*2-3H,1H3;2H,1H3;1H3
InChIKeyIQFDIFVHFNEYEE-UHFFFAOYSA-N
XLogP5.36
TPSA261.60 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500977.25
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole with MolForge

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Related Compounds

3-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 53262678
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 54759346
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 56592635
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657801
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657814
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
CID 67258734
N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine
CID 44589329
4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
CID 89657802
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
CID 11293063
US9096589, 8-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250345
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67257255
US11186582, Example 123
CID 118472611

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-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;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (CID 158773770) is 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-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;1-methyltetrazole;4-methyl-1,3-thiazole;5-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;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1cncs1.Cc1cscn1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nnnn1.
What is the InChIKey of 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The InChIKey is IQFDIFVHFNEYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H7N.2C4H6N2.2C4H5NS.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;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;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;4*2-3H,1H3;2H,1H3;1H3.
What are the key properties of 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole has a molecular weight of 977.25 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 158773770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).