3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine

C156H240N34O19S2 — CID 157483937

IUPAC3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1c[nH]c(=O)cn1.CC(C)c1c[nH]c(=O)cn1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cncc(OCC(O)CO)n1.CC(C)c1cncc(OC[C@@H](O)CO)n1.CC(C)c1cncc(OC[C@H](O)CO)n1.CC(C)c1cncnc1.CC(C)c1cnncn1.CC(C)c1nc(CN2CCOCC2)cs1.CC(C)c1nc2c(s1)CCCC2.CC(C)c1ncccc1N1CCOCC1.CC(CO)COc1cnc(C(C)C)cn1.COCCn1cc(C(C)C)ccc1=O.COc1nccnc1C(C)C.Cc1cnc(C(C)C)c(C)n1.Cc1cnc(C(C)C)cn1.Cc1cncc(C(C)C)n1
InChIInChI=1S/C12H18N2O.C11H17N3O.C11H18N2O2.C11H18N2OS.C11H17NO2.3C10H16N2O3.C10H15NS.C9H14N2.C8H12N2O.2C8H12N2.2C7H10N2O.C7H10N2.C6H9N3/c1-10(2)12-11(4-3-5-13-12)14-6-8-15-9-7-14;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-8(2)10-4-13-11(5-12-10)15-7-9(3)6-14;1-9(2)11-12-10(8-15-11)7-13-3-5-14-6-4-13;1-9(2)10-4-5-11(13)12(8-10)6-7-14-3;3*1-7(2)9-3-11-4-10(12-9)15-6-8(14)5-13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-8(4)11-7(3)5-10-9;1-6(2)7-8(11-3)10-5-4-9-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-5-9-4-7(3)10-8;2*1-5(2)6-3-9-7(10)4-8-6;1-6(2)7-3-8-5-9-4-7;1-5(2)6-3-8-9-4-7-6/h3-5,10H,6-9H2,1-2H3;7-9H,3-6H2,1-2H3;4-5,8-9,14H,6-7H2,1-3H3;8-9H,3-7H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;3*3-4,7-8,13-14H,5-6H2,1-2H3;7H,3-6H2,1-2H3;5-6H,1-4H3;4-6H,1-3H3;2*4-6H,1-3H3;2*3-5H,1-2H3,(H,9,10);3-6H,1-2H3;3-5H,1-2H3/t;;;;;2*8-;;;;;;;;;;/m.....10........../s1
InChIKeyBWMHBHSVVJCBKA-HAFHFRNQSA-N
MW2959.99 g/mol
LogP24.97
Rot. Bonds41

About 3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine

3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine (PubChem CID 157483937) has the molecular formula C156H240N34O19S2 and a molecular weight of 2959.99 g/mol. Its IUPAC name is 3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine
PubChem CID157483937
Molecular FormulaC156H240N34O19S2
Molecular Weight2959.99 g/mol
Exact Mass2957.83
IUPAC Name3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1c[nH]c(=O)cn1.CC(C)c1c[nH]c(=O)cn1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cncc(OCC(O)CO)n1.CC(C)c1cncc(OC[C@@H](O)CO)n1.CC(C)c1cncc(OC[C@H](O)CO)n1.CC(C)c1cncnc1.CC(C)c1cnncn1.CC(C)c1nc(CN2CCOCC2)cs1.CC(C)c1nc2c(s1)CCCC2.CC(C)c1ncccc1N1CCOCC1.CC(CO)COc1cnc(C(C)C)cn1.COCCn1cc(C(C)C)ccc1=O.COc1nccnc1C(C)C.Cc1cnc(C(C)C)c(C)n1.Cc1cnc(C(C)C)cn1.Cc1cncc(C(C)C)n1
InChIInChI=1S/C12H18N2O.C11H17N3O.C11H18N2O2.C11H18N2OS.C11H17NO2.3C10H16N2O3.C10H15NS.C9H14N2.C8H12N2O.2C8H12N2.2C7H10N2O.C7H10N2.C6H9N3/c1-10(2)12-11(4-3-5-13-12)14-6-8-15-9-7-14;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-8(2)10-4-13-11(5-12-10)15-7-9(3)6-14;1-9(2)11-12-10(8-15-11)7-13-3-5-14-6-4-13;1-9(2)10-4-5-11(13)12(8-10)6-7-14-3;3*1-7(2)9-3-11-4-10(12-9)15-6-8(14)5-13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-8(4)11-7(3)5-10-9;1-6(2)7-8(11-3)10-5-4-9-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-5-9-4-7(3)10-8;2*1-5(2)6-3-9-7(10)4-8-6;1-6(2)7-3-8-5-9-4-7;1-5(2)6-3-8-9-4-7-6/h3-5,10H,6-9H2,1-2H3;7-9H,3-6H2,1-2H3;4-5,8-9,14H,6-7H2,1-3H3;8-9H,3-7H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;3*3-4,7-8,13-14H,5-6H2,1-2H3;7H,3-6H2,1-2H3;5-6H,1-4H3;4-6H,1-3H3;2*4-6H,1-3H3;2*3-5H,1-2H3,(H,9,10);3-6H,1-2H3;3-5H,1-2H3/t;;;;;2*8-;;;;;;;;;;/m.....10........../s1
InChIKeyBWMHBHSVVJCBKA-HAFHFRNQSA-N
XLogP24.97
TPSA683.04 Ų
H-Bond Donors9
H-Bond Acceptors53
Rotatable Bonds41
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002959.99
LogP ≤ 524.97
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1053

Analyze 3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine with MolForge

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Related Compounds

N,N-dimethyl-6-propan-2-ylpyridin-2-amine;1-hydroxy-4-propan-2-yl-3H-2,1-benzoxaborole;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-5-propan-2-ylisoindole;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-1,2,4-triazine
CID 160298207
4-(2,2-difluoropropoxy)-6-methyl-2-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyridin-2-amine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;2-methyl-5-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-6-propan-2-ylpyrazine;3-piperidin-1-yl-2-propan-2-ylpyridine;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 162044323
1,3-dimethyl-5-propan-2-ylpyrazole;N,N-dimethyl-2-propan-2-ylpyridin-4-amine;2,6-dimethyl-3-propan-2-ylpyridine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;1-[(2-methylpropan-2-yl)oxy]-3-[(2-propan-2-yl-4-pyridinyl)oxy]propan-2-ol;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,2,4-triazine
CID 159203097
1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-1,2,4-triazine
CID 159204873
3,5-dimethyl-2-propan-2-ylpyrazine;methane;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;bis(2-methyl-5-propan-2-ylpyrazine);2-methyl-6-propan-2-ylpyrazine;3-piperidin-1-yl-2-propan-2-ylpyridine;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2S)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine
CID 161583448
1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;3-(5-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;5-propan-2-yl-1,2,4-triazine
CID 161951559

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine?
The IUPAC name of 3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine (CID 157483937) is 3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for 3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine?
The canonical SMILES for 3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine is CC(C)c1c[nH]c(=O)cn1.CC(C)c1c[nH]c(=O)cn1.CC(C)c1cncc(N2CCOCC2)n1.CC(C)c1cncc(OCC(O)CO)n1.CC(C)c1cncc(OC[C@@H](O)CO)n1.CC(C)c1cncc(OC[C@H](O)CO)n1.CC(C)c1cncnc1.CC(C)c1cnncn1.CC(C)c1nc(CN2CCOCC2)cs1.CC(C)c1nc2c(s1)CCCC2.CC(C)c1ncccc1N1CCOCC1.CC(CO)COc1cnc(C(C)C)cn1.COCCn1cc(C(C)C)ccc1=O.COc1nccnc1C(C)C.Cc1cnc(C(C)C)c(C)n1.Cc1cnc(C(C)C)cn1.Cc1cncc(C(C)C)n1.
What is the InChIKey of 3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine?
The InChIKey is BWMHBHSVVJCBKA-HAFHFRNQSA-N. The full InChI is InChI=1S/C12H18N2O.C11H17N3O.C11H18N2O2.C11H18N2OS.C11H17NO2.3C10H16N2O3.C10H15NS.C9H14N2.C8H12N2O.2C8H12N2.2C7H10N2O.C7H10N2.C6H9N3/c1-10(2)12-11(4-3-5-13-12)14-6-8-15-9-7-14;1-9(2)10-7-12-8-11(13-10)14-3-5-15-6-4-14;1-8(2)10-4-13-11(5-12-10)15-7-9(3)6-14;1-9(2)11-12-10(8-15-11)7-13-3-5-14-6-4-13;1-9(2)10-4-5-11(13)12(8-10)6-7-14-3;3*1-7(2)9-3-11-4-10(12-9)15-6-8(14)5-13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-8(4)11-7(3)5-10-9;1-6(2)7-8(11-3)10-5-4-9-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-5-9-4-7(3)10-8;2*1-5(2)6-3-9-7(10)4-8-6;1-6(2)7-3-8-5-9-4-7;1-5(2)6-3-8-9-4-7-6/h3-5,10H,6-9H2,1-2H3;7-9H,3-6H2,1-2H3;4-5,8-9,14H,6-7H2,1-3H3;8-9H,3-7H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;3*3-4,7-8,13-14H,5-6H2,1-2H3;7H,3-6H2,1-2H3;5-6H,1-4H3;4-6H,1-3H3;2*4-6H,1-3H3;2*3-5H,1-2H3,(H,9,10);3-6H,1-2H3;3-5H,1-2H3/t;;;;;2*8-;;;;;;;;;;/m.....10........../s1.
What are the key properties of 3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine?
3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine has a molecular weight of 2959.99 g/mol, XLogP of 24.97, 41 rotatable bonds, 9 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-propan-2-ylpyrazine;1-(2-methoxyethyl)-5-propan-2-ylpyridin-2-one;2-methoxy-3-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-6-propan-2-ylpyrazine;2-methyl-3-(5-propan-2-ylpyrazin-2-yl)oxypropan-1-ol;bis(5-propan-2-yl-1H-pyrazin-2-one);4-(6-propan-2-ylpyrazin-2-yl)morpholine;(2R)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;(2S)-3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;3-(6-propan-2-ylpyrazin-2-yl)oxypropane-1,2-diol;4-(2-propan-2-yl-3-pyridinyl)morpholine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;5-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 157483937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).