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

C30H42N12O — CID 158261045

IUPAC5-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
SMILESCC1=CC=NC1.CC1=CN=NC1.Cc1cccnc1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cnoc1.Cn1cnnc1
InChIInChI=1S/C6H7N.C5H7N.3C4H6N2.C4H5NO.C3H5N3/c1-6-3-2-4-7-5-6;1-5-2-3-6-4-5;1-4-2-5-3-6-4;3*1-4-2-5-6-3-4;1-6-2-4-5-3-6/h2-5H,1H3;2-3H,4H2,1H3;2-3H,1H3,(H,5,6);2H,3H2,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3
InChIKeyGHWKVLDGXPOKOH-UHFFFAOYSA-N
MW586.75 g/mol
LogP6.00
Rot. Bonds

About 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

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 (PubChem CID 158261045) has the molecular formula C30H42N12O and a molecular weight of 586.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158261045
Molecular FormulaC30H42N12O
Molecular Weight586.75 g/mol
Exact Mass586.36
IUPAC Name5-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
SMILESCC1=CC=NC1.CC1=CN=NC1.Cc1cccnc1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cnoc1.Cn1cnnc1
InChIInChI=1S/C6H7N.C5H7N.3C4H6N2.C4H5NO.C3H5N3/c1-6-3-2-4-7-5-6;1-5-2-3-6-4-5;1-4-2-5-3-6-4;3*1-4-2-5-6-3-4;1-6-2-4-5-3-6/h2-5H,1H3;2-3H,4H2,1H3;2-3H,1H3,(H,5,6);2H,3H2,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3
InChIKeyGHWKVLDGXPOKOH-UHFFFAOYSA-N
XLogP6.00
TPSA164.07 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500586.75
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine
CID 67535071
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methyl-7-[1-(4H-[1,2]oxazolo[4,5-c]pyridin-5-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine
CID 90906895
N-[2-methyl-6-[5-(1H-pyrazol-5-yl)-6H-imidazo[1,2-b]pyridazin-8-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine
CID 123609171
3-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-5-(triazin-4-yl)tetrazolidin-2-yl]-1,2-oxazole
CID 141060204
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
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
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
1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene;3-methylthiophene
CID 158720439
1H-imidazole;1,2,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine
CID 158837541
benzene;ethane;1H-imidazole;octakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine
CID 159652003
1H-imidazole;1,2-oxazole;1H-pyrazole;pyridine;1,2-thiazole
CID 160358823
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=CC=NC1.CC1=CN=NC1.Cc1cccnc1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cnoc1.Cn1cnnc1.
What is the InChIKey of 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?
The InChIKey is GHWKVLDGXPOKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H7N.3C4H6N2.C4H5NO.C3H5N3/c1-6-3-2-4-7-5-6;1-5-2-3-6-4-5;1-4-2-5-3-6-4;3*1-4-2-5-6-3-4;1-6-2-4-5-3-6/h2-5H,1H3;2-3H,4H2,1H3;2-3H,1H3,(H,5,6);2H,3H2,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3.
What are the key properties of 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?
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 has a molecular weight of 586.75 g/mol, XLogP of 6.00, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158261045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).