butane-1,2-diol;cumene;N-[2-(diethylamino)ethyl]-4-methylbenzamide;3,5-dimethyl-1,2-oxazole;4-(2,4-dimethylphenoxy)pyridine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;1,2-dimethylpyrrolidine;1-ethylimidazole;1-ethylimidazolidin-2-one;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;1-(4-methoxyphenyl)propan-2-one;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;6-methyl-1H-indazole;1-(4-methylphenyl)imidazole;4-(2-methylphenyl)morpholine;4-(4-methylphenyl)morpholine;2-methylpropan-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole

C189H283N31O14 — CID 159006354

About butane-1,2-diol;cumene;N-[2-(diethylamino)ethyl]-4-methylbenzamide;3,5-dimethyl-1,2-oxazole;4-(2,4-dimethylphenoxy)pyridine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;1,2-dimethylpyrrolidine;1-ethylimidazole;1-ethylimidazolidin-2-one;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;1-(4-methoxyphenyl)propan-2-one;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;6-methyl-1H-indazole;1-(4-methylphenyl)imidazole;4-(2-methylphenyl)morpholine;4-(4-methylphenyl)morpholine;2-methylpropan-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole

butane-1,2-diol;cumene;N-[2-(diethylamino)ethyl]-4-methylbenzamide;3,5-dimethyl-1,2-oxazole;4-(2,4-dimethylphenoxy)pyridine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;1,2-dimethylpyrrolidine;1-ethylimidazole;1-ethylimidazolidin-2-one;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;1-(4-methoxyphenyl)propan-2-one;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;6-methyl-1H-indazole;1-(4-methylphenyl)imidazole;4-(2-methylphenyl)morpholine;4-(4-methylphenyl)morpholine;2-methylpropan-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole (PubChem CID 159006354) has the molecular formula C189H283N31O14 and a molecular weight of 3213.55 g/mol. Its IUPAC name is butane-1,2-diol;cumene;N-[2-(diethylamino)ethyl]-4-methylbenzamide;3,5-dimethyl-1,2-oxazole;4-(2,4-dimethylphenoxy)pyridine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;1,2-dimethylpyrrolidine;1-ethylimidazole;1-ethylimidazolidin-2-one;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;1-(4-methoxyphenyl)propan-2-one;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;6-methyl-1H-indazole;1-(4-methylphenyl)imidazole;4-(2-methylphenyl)morpholine;4-(4-methylphenyl)morpholine;2-methylpropan-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: butane-1,2-diol;cumene;N-[2-(diethylamino)ethyl]-4-methylbenzamide;3,5-dimethyl-1,2-oxazole;4-(2,4-dimethylphenoxy)pyridine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;1,2-dimethylpyrrolidine;1-ethylimidazole;1-ethylimidazolidin-2-one;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;1-(4-methoxyphenyl)propan-2-one;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;6-methyl-1H-indazole;1-(4-methylphenyl)imidazole;4-(2-methylphenyl)morpholine;4-(4-methylphenyl)morpholine;2-methylpropan-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole
• PubChem CID: 159006354
• Molecular Formula: C189H283N31O14
• Molecular Weight: 3213.55 g/mol
• Exact Mass: 3211.24
• IUPAC Name: butane-1,2-diol;cumene;N-[2-(diethylamino)ethyl]-4-methylbenzamide;3,5-dimethyl-1,2-oxazole;4-(2,4-dimethylphenoxy)pyridine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;1,2-dimethylpyrrolidine;1-ethylimidazole;1-ethylimidazolidin-2-one;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;1-(4-methoxyphenyl)propan-2-one;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;6-methyl-1H-indazole;1-(4-methylphenyl)imidazole;4-(2-methylphenyl)morpholine;4-(4-methylphenyl)morpholine;2-methylpropan-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole
• SMILES: CC(C)(C)N.CC(C)c1ccccc1.CC1CCCN1C.CC1CCN(C)CC1.CCC(O)CO.CCN(CC)CCNC(=O)c1ccc(C)cc1.CCN1CCCC1.CCN1CCCC1=O.CCN1CCCCC1.CCN1CCNC1=O.CCN1CCOCC1.CCn1ccnc1.COc1ccc(CC(C)=O)cc1.Cc1cc(C)[nH]n1.Cc1cc(C)on1.Cc1ccc(-n2ccnc2)cc1.Cc1ccc(N2CCOCC2)cc1.Cc1ccc(Oc2ccncc2)c(C)c1.Cc1ccc2c(c1)OCO2.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccccc1N1CCOCC1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncn[nH]1
• InChI: InChI=1S/C14H22N2O.C13H13NO.2C11H15NO.C10H10N2.C10H12O2.C9H12.2C8H8N2.C8H8O2.2C7H15N.C6H13NO.C6H11NO.C6H13N.3C6H7N.C6H13N.C5H10N2O.2C5H8N2.C5H7NO.C4H11N.C4H10O2.C3H5N3/c1-4-16(5-2)11-10-15-14(17)13-8-6-12(3)7-9-13;1-10-3-4-13(11(2)9-10)15-12-5-7-14-8-6-12;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-10-4-2-3-5-11(10)12-6-8-13-9-7-12;1-9-2-4-10(5-3-9)12-7-6-11-8-12;1-8(11)7-9-3-5-10(12-2)6-4-9;1-8(2)9-6-4-3-5-7-9;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-7-8(4-6)10-5-9-7;1-7-3-5-8(2)6-4-7;1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-7-5-3-4-6(7)8;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-7-5-3-4-6-7;1-2-7-4-3-6-5(7)8;1-4-3-5(2)7-6-4;1-2-7-4-3-6-5-7;1-4-3-5(2)7-6-4;1-4(2,3)5;1-2-4(6)3-5;1-3-4-2-5-6-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,17);3-9H,1-2H3;2*2-5H,6-9H2,1H3;2-8H,1H3;3-6H,7H2,1-2H3;3-8H,1-2H3;2*2-5H,1H3,(H,9,10);2-4H,5H2,1H3;7H,3-6H2,1-2H3;2-7H2,1H3;2-6H2,1H3;2-5H2,1H3;6H,3-5H2,1-2H3;3*2-5H,1H3;2-6H2,1H3;2-4H2,1H3,(H,6,8);3H,1-2H3,(H,6,7);3-5H,2H2,1H3;3H,1-2H3;5H2,1-3H3;4-6H,2-3H2,1H3;2H,1H3,(H,4,5,6)
• InChIKey: JRYVKAZNJCUOMG-UHFFFAOYSA-N
• XLogP: 35.54
• TPSA: 496.67 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 23
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3213.55
LogP ≤ 5	35.54
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butane-1,2-diol;cumene;N-[2-(diethylamino)ethyl]-4-methylbenzamide;3,5-dimethyl-1,2-oxazole;4-(2,4-dimethylphenoxy)pyridine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;1,2-dimethylpyrrolidine;1-ethylimidazole;1-ethylimidazolidin-2-one;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;1-(4-methoxyphenyl)propan-2-one;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;6-methyl-1H-indazole;1-(4-methylphenyl)imidazole;4-(2-methylphenyl)morpholine;4-(4-methylphenyl)morpholine;2-methylpropan-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole?

The IUPAC name of butane-1,2-diol;cumene;N-[2-(diethylamino)ethyl]-4-methylbenzamide;3,5-dimethyl-1,2-oxazole;4-(2,4-dimethylphenoxy)pyridine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;1,2-dimethylpyrrolidine;1-ethylimidazole;1-ethylimidazolidin-2-one;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;1-(4-methoxyphenyl)propan-2-one;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;6-methyl-1H-indazole;1-(4-methylphenyl)imidazole;4-(2-methylphenyl)morpholine;4-(4-methylphenyl)morpholine;2-methylpropan-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole (CID 159006354) is butane-1,2-diol;cumene;N-[2-(diethylamino)ethyl]-4-methylbenzamide;3,5-dimethyl-1,2-oxazole;4-(2,4-dimethylphenoxy)pyridine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;1,2-dimethylpyrrolidine;1-ethylimidazole;1-ethylimidazolidin-2-one;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;1-(4-methoxyphenyl)propan-2-one;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;6-methyl-1H-indazole;1-(4-methylphenyl)imidazole;4-(2-methylphenyl)morpholine;4-(4-methylphenyl)morpholine;2-methylpropan-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole.

What is the SMILES notation for butane-1,2-diol;cumene;N-[2-(diethylamino)ethyl]-4-methylbenzamide;3,5-dimethyl-1,2-oxazole;4-(2,4-dimethylphenoxy)pyridine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;1,2-dimethylpyrrolidine;1-ethylimidazole;1-ethylimidazolidin-2-one;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;1-(4-methoxyphenyl)propan-2-one;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;6-methyl-1H-indazole;1-(4-methylphenyl)imidazole;4-(2-methylphenyl)morpholine;4-(4-methylphenyl)morpholine;2-methylpropan-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole?

The canonical SMILES for butane-1,2-diol;cumene;N-[2-(diethylamino)ethyl]-4-methylbenzamide;3,5-dimethyl-1,2-oxazole;4-(2,4-dimethylphenoxy)pyridine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;1,2-dimethylpyrrolidine;1-ethylimidazole;1-ethylimidazolidin-2-one;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;1-(4-methoxyphenyl)propan-2-one;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;6-methyl-1H-indazole;1-(4-methylphenyl)imidazole;4-(2-methylphenyl)morpholine;4-(4-methylphenyl)morpholine;2-methylpropan-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole is CC(C)(C)N.CC(C)c1ccccc1.CC1CCCN1C.CC1CCN(C)CC1.CCC(O)CO.CCN(CC)CCNC(=O)c1ccc(C)cc1.CCN1CCCC1.CCN1CCCC1=O.CCN1CCCCC1.CCN1CCNC1=O.CCN1CCOCC1.CCn1ccnc1.COc1ccc(CC(C)=O)cc1.Cc1cc(C)[nH]n1.Cc1cc(C)on1.Cc1ccc(-n2ccnc2)cc1.Cc1ccc(N2CCOCC2)cc1.Cc1ccc(Oc2ccncc2)c(C)c1.Cc1ccc2c(c1)OCO2.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccccc1N1CCOCC1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1ncn[nH]1.

What is the InChIKey of butane-1,2-diol;cumene;N-[2-(diethylamino)ethyl]-4-methylbenzamide;3,5-dimethyl-1,2-oxazole;4-(2,4-dimethylphenoxy)pyridine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;1,2-dimethylpyrrolidine;1-ethylimidazole;1-ethylimidazolidin-2-one;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;1-(4-methoxyphenyl)propan-2-one;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;6-methyl-1H-indazole;1-(4-methylphenyl)imidazole;4-(2-methylphenyl)morpholine;4-(4-methylphenyl)morpholine;2-methylpropan-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole?

The InChIKey is JRYVKAZNJCUOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.C13H13NO.2C11H15NO.C10H10N2.C10H12O2.C9H12.2C8H8N2.C8H8O2.2C7H15N.C6H13NO.C6H11NO.C6H13N.3C6H7N.C6H13N.C5H10N2O.2C5H8N2.C5H7NO.C4H11N.C4H10O2.C3H5N3/c1-4-16(5-2)11-10-15-14(17)13-8-6-12(3)7-9-13;1-10-3-4-13(11(2)9-10)15-12-5-7-14-8-6-12;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-10-4-2-3-5-11(10)12-6-8-13-9-7-12;1-9-2-4-10(5-3-9)12-7-6-11-8-12;1-8(11)7-9-3-5-10(12-2)6-4-9;1-8(2)9-6-4-3-5-7-9;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-7-8(4-6)10-5-9-7;1-7-3-5-8(2)6-4-7;1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-7-5-3-4-6(7)8;1-6-4-3-5-7(6)2;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-7-5-3-4-6-7;1-2-7-4-3-6-5(7)8;1-4-3-5(2)7-6-4;1-2-7-4-3-6-5-7;1-4-3-5(2)7-6-4;1-4(2,3)5;1-2-4(6)3-5;1-3-4-2-5-6-3/h6-9H,4-5,10-11H2,1-3H3,(H,15,17);3-9H,1-2H3;2*2-5H,6-9H2,1H3;2-8H,1H3;3-6H,7H2,1-2H3;3-8H,1-2H3;2*2-5H,1H3,(H,9,10);2-4H,5H2,1H3;7H,3-6H2,1-2H3;2-7H2,1H3;2-6H2,1H3;2-5H2,1H3;6H,3-5H2,1-2H3;3*2-5H,1H3;2-6H2,1H3;2-4H2,1H3,(H,6,8);3H,1-2H3,(H,6,7);3-5H,2H2,1H3;3H,1-2H3;5H2,1-3H3;4-6H,2-3H2,1H3;2H,1H3,(H,4,5,6).

What are the key properties of butane-1,2-diol;cumene;N-[2-(diethylamino)ethyl]-4-methylbenzamide;3,5-dimethyl-1,2-oxazole;4-(2,4-dimethylphenoxy)pyridine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;1,2-dimethylpyrrolidine;1-ethylimidazole;1-ethylimidazolidin-2-one;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;1-(4-methoxyphenyl)propan-2-one;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;6-methyl-1H-indazole;1-(4-methylphenyl)imidazole;4-(2-methylphenyl)morpholine;4-(4-methylphenyl)morpholine;2-methylpropan-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole?

butane-1,2-diol;cumene;N-[2-(diethylamino)ethyl]-4-methylbenzamide;3,5-dimethyl-1,2-oxazole;4-(2,4-dimethylphenoxy)pyridine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;1,2-dimethylpyrrolidine;1-ethylimidazole;1-ethylimidazolidin-2-one;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;1-(4-methoxyphenyl)propan-2-one;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;6-methyl-1H-indazole;1-(4-methylphenyl)imidazole;4-(2-methylphenyl)morpholine;4-(4-methylphenyl)morpholine;2-methylpropan-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole has a molecular weight of 3213.55 g/mol, XLogP of 35.54, 23 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for butane-1,2-diol;cumene;N-[2-(diethylamino)ethyl]-4-methylbenzamide;3,5-dimethyl-1,2-oxazole;4-(2,4-dimethylphenoxy)pyridine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;1,2-dimethylpyrrolidine;1-ethylimidazole;1-ethylimidazolidin-2-one;4-ethylmorpholine;1-ethylpiperidine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;1-(4-methoxyphenyl)propan-2-one;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;6-methyl-1H-indazole;1-(4-methylphenyl)imidazole;4-(2-methylphenyl)morpholine;4-(4-methylphenyl)morpholine;2-methylpropan-2-amine;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 159006354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).