2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole

C44H68N32S2 — CID 159494040

IUPAC2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole
SMILESCC1=NCC=C1.CC1=NCN=C1.Cc1cnc[nH]1.Cc1cscn1.Cc1ncc[nH]1.Cc1nccs1.Cc1ncn[nH]1.Cc1nn[nH]n1.Cn1cccn1.Cn1cncn1.Cn1cnnn1.Cn1nccn1.Cn1ncnn1
InChIInChI=1S/C5H7N.4C4H6N2.2C4H5NS.3C3H5N3.3C2H4N4/c1-5-3-2-4-6-5;2*1-4-2-5-3-6-4;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-6-3-4-2-5-6;1-6-4-2-3-5-6;1-3-4-2-5-6-3;1-6-2-3-4-5-6;1-6-4-2-3-5-6;1-2-3-5-6-4-2/h2-3H,4H2,1H3;2H,3H2,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);4*2-3H,1H3;2H,1H3,(H,4,5,6);2*2H,1H3;1H3,(H,3,4,5,6)
InChIKeyLYOAPCCHDQRFIG-UHFFFAOYSA-N
MW1109.39 g/mol
LogP3.94
Rot. Bonds

About 2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole

2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole (PubChem CID 159494040) has the molecular formula C44H68N32S2 and a molecular weight of 1109.39 g/mol. Its IUPAC name is 2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole
PubChem CID159494040
Molecular FormulaC44H68N32S2
Molecular Weight1109.39 g/mol
Exact Mass1108.57
IUPAC Name2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole
SMILESCC1=NCC=C1.CC1=NCN=C1.Cc1cnc[nH]1.Cc1cscn1.Cc1ncc[nH]1.Cc1nccs1.Cc1ncn[nH]1.Cc1nn[nH]n1.Cn1cccn1.Cn1cncn1.Cn1cnnn1.Cn1nccn1.Cn1ncnn1
InChIInChI=1S/C5H7N.4C4H6N2.2C4H5NS.3C3H5N3.3C2H4N4/c1-5-3-2-4-6-5;2*1-4-2-5-3-6-4;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-6-3-4-2-5-6;1-6-4-2-3-5-6;1-3-4-2-5-6-3;1-6-2-3-4-5-6;1-6-4-2-3-5-6;1-2-3-5-6-4-2/h2-3H,4H2,1H3;2H,3H2,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);4*2-3H,1H3;2H,1H3,(H,4,5,6);2*2H,1H3;1H3,(H,3,4,5,6)
InChIKeyLYOAPCCHDQRFIG-UHFFFAOYSA-N
XLogP3.94
TPSA382.69 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001109.39
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze 2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole
CID 140993054
2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole
CID 140994222
2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole
CID 141121534
2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazolidin-2-yl]-1,3-thiazole
CID 141121729
2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 157074534
1H-imidazole;1H-pyrazole;1H-pyrrole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157730955
1,4-Dimethylimidazole;2,4-dimethyl-1,3-thiazole;1-methylimidazole;1-methylpyrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole
CID 157908763
2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;3-methyl-1,2,4-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 157936459
methane;bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158395781
4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole
CID 158395822
2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158402496
2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole
CID 158720561

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole?
The IUPAC name of 2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole (CID 159494040) is 2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole is CC1=NCC=C1.CC1=NCN=C1.Cc1cnc[nH]1.Cc1cscn1.Cc1ncc[nH]1.Cc1nccs1.Cc1ncn[nH]1.Cc1nn[nH]n1.Cn1cccn1.Cn1cncn1.Cn1cnnn1.Cn1nccn1.Cn1ncnn1.
What is the InChIKey of 2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole?
The InChIKey is LYOAPCCHDQRFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.4C4H6N2.2C4H5NS.3C3H5N3.3C2H4N4/c1-5-3-2-4-6-5;2*1-4-2-5-3-6-4;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-6-3-4-2-5-6;1-6-4-2-3-5-6;1-3-4-2-5-6-3;1-6-2-3-4-5-6;1-6-4-2-3-5-6;1-2-3-5-6-4-2/h2-3H,4H2,1H3;2H,3H2,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);4*2-3H,1H3;2H,1H3,(H,4,5,6);2*2H,1H3;1H3,(H,3,4,5,6).
What are the key properties of 2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole?
2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 1109.39 g/mol, XLogP of 3.94, 0 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 159494040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).