4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole

C82H146N18O2 — CID 160580345

IUPAC4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccnc1C.Cc1ccncc1C.Cc1ccnnc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cncnc1C.Cc1cnn(C)c1C.Cc1cnncc1C.Cc1conc1C.Cc1nc[nH]c1C.Cc1noc(C)c1C
InChIInChI=1S/2C7H9N.C6H10N2.3C6H8N2.C6H9NO.3C5H8N2.C5H7NO.9C2H6/c1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-5-4-7-8(3)6(5)2;1-5-3-7-4-8-6(5)2;1-5-3-7-8-4-6(5)2;1-5-3-4-7-8-6(5)2;1-4-5(2)7-8-6(4)3;1-4-5(2)7-3-6-4;2*1-4-3-6-7-5(4)2;1-4-3-7-6-5(4)2;9*1-2/h2*3-5H,1-2H3;4H,1-3H3;3*3-4H,1-2H3;1-3H3;3*3H,1-2H3,(H,6,7);3H,1-2H3;9*1-2H3
InChIKeyRBRUUWRVZZHEDA-UHFFFAOYSA-N
MW1416.19 g/mol
LogP22.92
Rot. Bonds

About 4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole

4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole (PubChem CID 160580345) has the molecular formula C82H146N18O2 and a molecular weight of 1416.19 g/mol. Its IUPAC name is 4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole.

Molecular Properties

Compound Name4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole
PubChem CID160580345
Molecular FormulaC82H146N18O2
Molecular Weight1416.19 g/mol
Exact Mass1415.19
IUPAC Name4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccnc1C.Cc1ccncc1C.Cc1ccnnc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cncnc1C.Cc1cnn(C)c1C.Cc1cnncc1C.Cc1conc1C.Cc1nc[nH]c1C.Cc1noc(C)c1C
InChIInChI=1S/2C7H9N.C6H10N2.3C6H8N2.C6H9NO.3C5H8N2.C5H7NO.9C2H6/c1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-5-4-7-8(3)6(5)2;1-5-3-7-4-8-6(5)2;1-5-3-7-8-4-6(5)2;1-5-3-4-7-8-6(5)2;1-4-5(2)7-8-6(4)3;1-4-5(2)7-3-6-4;2*1-4-3-6-7-5(4)2;1-4-3-7-6-5(4)2;9*1-2/h2*3-5H,1-2H3;4H,1-3H3;3*3-4H,1-2H3;1-3H3;3*3H,1-2H3,(H,6,7);3H,1-2H3;9*1-2H3
InChIKeyRBRUUWRVZZHEDA-UHFFFAOYSA-N
XLogP22.92
TPSA259.04 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001416.19
LogP ≤ 522.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole 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

3,5-diethyl-4-propan-2-yl-1H-pyrazole;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 167636690
4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine
CID 141219824
3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole
CID 141271208
2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[4-(2-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide);bis(2-[4-(6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide);N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyrimidin-4-ylpyrazol-1-yl)acetamide
CID 157318676
1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine);2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-3H-pyrrole;bis(4,5-di(propan-2-yl)triazine);bis(5,6-di(propan-2-yl)-1,2,4-triazine);ethane
CID 157360383
1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
CID 157569318
4-tert-butyl-5-propan-2-yl-1,2-oxazole;4-tert-butyl-5-propan-2-yl-1H-pyrazole;3-tert-butyl-2-propan-2-yl-1H-pyrrole;4-tert-butyl-3-propan-2-yl-2H-pyrrole;5-tert-butyl-4-propan-2-yl-3H-pyrrole;4,5-ditert-butyl-1H-imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine);bis(4,5-di(propan-2-yl)triazine);bis(5,6-di(propan-2-yl)-1,2,4-triazine);ethane
CID 157584341
3,5-dimethyl-1,2-oxazole;4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2H-triazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;2-methylquinoline;5-[(E)-prop-1-enyl]-1H-imidazole;1,2,4-trimethyl-3-prop-1-en-2-ylcyclopenta-1,3-diene
CID 157646529
benzene;ethane;1H-imidazole;undecakis(2-methylpropane);1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,2,4-triazine;1H-1,2,4-triazole;2H-triazole
CID 158073654
5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;4-methyl-3H-pyrazole;3-methylpyridine;3-methyl-2H-pyrrole;4-methyl-1,2,4-triazole
CID 158261045
5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 158534510
4,6-Dimethyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine;1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(1-ethylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine;5-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrazine;2-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine;1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylpiperazine;1-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 158607933

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole?
The IUPAC name of 4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole (CID 160580345) is 4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole.
What is the SMILES notation for 4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole?
The canonical SMILES for 4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccnc1C.Cc1ccncc1C.Cc1ccnnc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cncnc1C.Cc1cnn(C)c1C.Cc1cnncc1C.Cc1conc1C.Cc1nc[nH]c1C.Cc1noc(C)c1C.
What is the InChIKey of 4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole?
The InChIKey is RBRUUWRVZZHEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9N.C6H10N2.3C6H8N2.C6H9NO.3C5H8N2.C5H7NO.9C2H6/c1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-5-4-7-8(3)6(5)2;1-5-3-7-4-8-6(5)2;1-5-3-7-8-4-6(5)2;1-5-3-4-7-8-6(5)2;1-4-5(2)7-8-6(4)3;1-4-5(2)7-3-6-4;2*1-4-3-6-7-5(4)2;1-4-3-7-6-5(4)2;9*1-2/h2*3-5H,1-2H3;4H,1-3H3;3*3-4H,1-2H3;1-3H3;3*3H,1-2H3,(H,6,7);3H,1-2H3;9*1-2H3.
What are the key properties of 4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole?
4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole has a molecular weight of 1416.19 g/mol, XLogP of 22.92, 0 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-imidazole;3,4-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1H-pyrazole);3,4-dimethylpyridazine;4,5-dimethylpyridazine;2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethylpyrimidine;ethane;3,4,5-trimethyl-1,2-oxazole;1,4,5-trimethylpyrazole is sourced from PubChem (CID 160580345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).