2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene

C192H294F3N37O14 — CID 157062526

IUPAC2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)c1ccc[nH]1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccnc(CN2CCC2)n1.CC(C)c1ccnc(N2CCC2)c1.CC(C)c1cnc2ccccc2n1.CC(C)c1cnc[nH]1.CC(C)c1cncc(CN2CCC2)n1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1ncc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1ncn[nH]1.CCC(O)COc1cnc(C(C)C)cn1.COc1ccc(C(C)C)cc1OC.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1cc(OCC(O)CO)nc(C(C)C)n1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)c1C
InChIInChI=1S/C11H17N3O.2C11H17N3.C11H18N2O3.C11H18N2O2.C11H16N2.C11H12N2.C11H16O2.C10H11F3.C8H14N2.C8H13NO.C8H13N.C7H12N2.C7H11NO.C7H11N.2C7H10O.C6H10N2O.3C6H10N2.C6H9NO.C5H9N3/c1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-9(2)10-4-5-12-11(13-10)8-14-6-3-7-14;1-9(2)11-7-12-6-10(13-11)8-14-4-3-5-14;1-7(2)11-12-8(3)4-10(13-11)16-6-9(15)5-14;1-4-9(14)7-15-11-6-12-10(5-13-11)8(2)3;1-9(2)10-4-5-12-11(8-10)13-6-3-7-13;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-6(2)8-5-7(3)9-10(8)4;1-5(2)8-6(3)7(4)9-10-8;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-6(3)9-8-7;3*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;3*1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h7-9H,3-6H2,1-2H3;4-5,9H,3,6-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;4,7,9,14-15H,5-6H2,1-3H3;5-6,8-9,14H,4,7H2,1-3H3;4-5,8-9H,3,6-7H2,1-2H3;3-8H,1-2H3;5-8H,1-4H3;3-7H,1-2H3;5-6H,1-4H3;5H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4H,1-3H3;3*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyABMLYFBNBMASEZ-UHFFFAOYSA-N
MW3401.70 g/mol
LogP45.10
Rot. Bonds39

About 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene

2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 157062526) has the molecular formula C192H294F3N37O14 and a molecular weight of 3401.70 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID157062526
Molecular FormulaC192H294F3N37O14
Molecular Weight3401.70 g/mol
Exact Mass3399.34
IUPAC Name2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)c1ccc[nH]1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccnc(CN2CCC2)n1.CC(C)c1ccnc(N2CCC2)c1.CC(C)c1cnc2ccccc2n1.CC(C)c1cnc[nH]1.CC(C)c1cncc(CN2CCC2)n1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1ncc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1ncn[nH]1.CCC(O)COc1cnc(C(C)C)cn1.COc1ccc(C(C)C)cc1OC.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1cc(OCC(O)CO)nc(C(C)C)n1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)c1C
InChIInChI=1S/C11H17N3O.2C11H17N3.C11H18N2O3.C11H18N2O2.C11H16N2.C11H12N2.C11H16O2.C10H11F3.C8H14N2.C8H13NO.C8H13N.C7H12N2.C7H11NO.C7H11N.2C7H10O.C6H10N2O.3C6H10N2.C6H9NO.C5H9N3/c1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-9(2)10-4-5-12-11(13-10)8-14-6-3-7-14;1-9(2)11-7-12-6-10(13-11)8-14-4-3-5-14;1-7(2)11-12-8(3)4-10(13-11)16-6-9(15)5-14;1-4-9(14)7-15-11-6-12-10(5-13-11)8(2)3;1-9(2)10-4-5-12-11(8-10)13-6-3-7-13;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-6(2)8-5-7(3)9-10(8)4;1-5(2)8-6(3)7(4)9-10-8;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-6(3)9-8-7;3*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;3*1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h7-9H,3-6H2,1-2H3;4-5,9H,3,6-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;4,7,9,14-15H,5-6H2,1-3H3;5-6,8-9,14H,4,7H2,1-3H3;4-5,8-9H,3,6-7H2,1-2H3;3-8H,1-2H3;5-8H,1-4H3;3-7H,1-2H3;5-6H,1-4H3;5H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4H,1-3H3;3*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyABMLYFBNBMASEZ-UHFFFAOYSA-N
XLogP45.10
TPSA614.63 Ų
H-Bond Donors8
H-Bond Acceptors46
Rotatable Bonds39
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003401.70
LogP ≤ 545.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1046

Analyze 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene with MolForge

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Related Compounds

3-(1,3-benzodioxol-5-yl)-1-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one;1-[3-(1,1-difluoroethyl)phenyl]-4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol;5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-N-methylpyridin-2-amine;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;3-(1-methylpyrazol-4-yl)-1-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 157921661
3-(1,3-benzodioxol-5-yl)-1-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one;1-[3-(1,1-difluoroethyl)phenyl]-4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol;5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-N-methylpyridin-2-amine;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone;[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]azanium;3-(1-methylpyrazol-4-yl)-1-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 157921662
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-1-propan-2-ylcyclohexane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-ylpyrimidine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;propan-2-ylcyclopentane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrimidine;bis(5-propan-2-yl-1H-1,2,4-triazole)
CID 157477533
1,3-benzodioxole;1,3-dihydro-2-benzofuran;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;henicosakis(2-methylpropane);1-phenylimidazole;4-phenylmorpholine;2-phenyl-1,3,4-oxadiazole;2-phenyl-1,3-oxazole;5-phenyl-1,2-oxazole;1-phenylpiperazine;1-phenylpiperidine;1-phenylpyrazole;5-phenyl-1H-pyrazole;2-phenylpyridine;3-phenylpyridine;4-phenylpyridine;2-phenylpyrimidine;2-phenyltriazole;2-pyridin-3-ylpyrimidine;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline
CID 157937048
cumene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-1H-1,2,4-triazole
CID 157979101
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylisoindole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybutan-2-ol;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1H-1,2,4-triazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 158206831
CID 158314564
CID 158314564
ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-2-benzofuran-1-one;5-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
CID 158962537
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
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-[(4-propan-2-ylphenyl)methyl]azetidine;2-propan-2-ylpyrazine;4-[(6-propan-2-ylpyrazin-2-yl)methyl]morpholine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;bis(2-propan-2-yl-1H-pyrrole);2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine
CID 159517978
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;methane;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;1-[(4-propan-2-ylphenyl)methyl]azetidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine
CID 159721811
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-5-propan-2-ylpyrazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-[(6-propan-2-ylpyrazin-2-yl)methyl]morpholine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-[(4-propan-2-ylpyrimidin-2-yl)methyl]morpholine;bis(2-propan-2-yl-1H-pyrrole)
CID 160065630

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene (CID 157062526) is 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene is CC(C)c1ccc[nH]1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccnc(CN2CCC2)n1.CC(C)c1ccnc(N2CCC2)c1.CC(C)c1cnc2ccccc2n1.CC(C)c1cnc[nH]1.CC(C)c1cncc(CN2CCC2)n1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1ncc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1ncn[nH]1.CCC(O)COc1cnc(C(C)C)cn1.COc1ccc(C(C)C)cc1OC.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1cc(OCC(O)CO)nc(C(C)C)n1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)c1C.
What is the InChIKey of 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is ABMLYFBNBMASEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.2C11H17N3.C11H18N2O3.C11H18N2O2.C11H16N2.C11H12N2.C11H16O2.C10H11F3.C8H14N2.C8H13NO.C8H13N.C7H12N2.C7H11NO.C7H11N.2C7H10O.C6H10N2O.3C6H10N2.C6H9NO.C5H9N3/c1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-9(2)10-4-5-12-11(13-10)8-14-6-3-7-14;1-9(2)11-7-12-6-10(13-11)8-14-4-3-5-14;1-7(2)11-12-8(3)4-10(13-11)16-6-9(15)5-14;1-4-9(14)7-15-11-6-12-10(5-13-11)8(2)3;1-9(2)10-4-5-12-11(8-10)13-6-3-7-13;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-6(2)8-5-7(3)9-10(8)4;1-5(2)8-6(3)7(4)9-10-8;1-7(2)8-5-4-6-9(8)3;1-6(2)7-4-5-9(3)8-7;1-5(2)7-4-6(3)9-8-7;3*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;3*1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h7-9H,3-6H2,1-2H3;4-5,9H,3,6-8H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;4,7,9,14-15H,5-6H2,1-3H3;5-6,8-9,14H,4,7H2,1-3H3;4-5,8-9H,3,6-7H2,1-2H3;3-8H,1-2H3;5-8H,1-4H3;3-7H,1-2H3;5-6H,1-4H3;5H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4H,1-3H3;3*3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8).
What are the key properties of 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene?
2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 3401.70 g/mol, XLogP of 45.10, 39 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;1,2-dimethoxy-4-propan-2-ylbenzene;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropane-1,2-diol;1-methyl-2-propan-2-ylpyrrole;bis(2-propan-2-ylfuran);bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinoxaline;5-propan-2-yl-1H-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 157062526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).