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

C75H113N17O7S — CID 159204873

IUPAC1-(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
SMILESCC(C)c1c[nH]c(=O)cn1.CC(C)c1cnc(OCC(O)CO)cn1.CC(C)c1cncnc1.CC(C)c1cnncn1.CC(C)c1nc2c(s1)CCCC2.COCCn1cc(C(C)C)ccc1=O.COc1nccnc1C(C)C.Cc1cnc(C(C)C)cn1.Cc1cncc(C(C)C)n1
InChIInChI=1S/C11H17NO2.C10H16N2O3.C10H15NS.C8H12N2O.2C8H12N2.C7H10N2O.C7H10N2.C6H9N3/c1-9(2)10-4-5-11(13)12(8-10)6-7-14-3;1-7(2)9-3-12-10(4-11-9)15-6-8(14)5-13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;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;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/h4-5,8-9H,6-7H2,1-3H3;3-4,7-8,13-14H,5-6H2,1-2H3;7H,3-6H2,1-2H3;4-6H,1-3H3;2*4-6H,1-3H3;3-5H,1-2H3,(H,9,10);3-6H,1-2H3;3-5H,1-2H3
InChIKeyKPTFFRYIFHSDOS-UHFFFAOYSA-N
MW1396.91 g/mol
LogP14.01
Rot. Bonds17

About 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

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 (PubChem CID 159204873) has the molecular formula C75H113N17O7S and a molecular weight of 1396.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159204873
Molecular FormulaC75H113N17O7S
Molecular Weight1396.91 g/mol
Exact Mass1395.87
IUPAC Name1-(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
SMILESCC(C)c1c[nH]c(=O)cn1.CC(C)c1cnc(OCC(O)CO)cn1.CC(C)c1cncnc1.CC(C)c1cnncn1.CC(C)c1nc2c(s1)CCCC2.COCCn1cc(C(C)C)ccc1=O.COc1nccnc1C(C)C.Cc1cnc(C(C)C)cn1.Cc1cncc(C(C)C)n1
InChIInChI=1S/C11H17NO2.C10H16N2O3.C10H15NS.C8H12N2O.2C8H12N2.C7H10N2O.C7H10N2.C6H9N3/c1-9(2)10-4-5-11(13)12(8-10)6-7-14-3;1-7(2)9-3-12-10(4-11-9)15-6-8(14)5-13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;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;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/h4-5,8-9H,6-7H2,1-3H3;3-4,7-8,13-14H,5-6H2,1-2H3;7H,3-6H2,1-2H3;4-6H,1-3H3;2*4-6H,1-3H3;3-5H,1-2H3,(H,9,10);3-6H,1-2H3;3-5H,1-2H3
InChIKeyKPTFFRYIFHSDOS-UHFFFAOYSA-N
XLogP14.01
TPSA316.36 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001396.91
LogP ≤ 514.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Related Compounds

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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1c[nH]c(=O)cn1.CC(C)c1cnc(OCC(O)CO)cn1.CC(C)c1cncnc1.CC(C)c1cnncn1.CC(C)c1nc2c(s1)CCCC2.COCCn1cc(C(C)C)ccc1=O.COc1nccnc1C(C)C.Cc1cnc(C(C)C)cn1.Cc1cncc(C(C)C)n1.
What is the InChIKey of 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?
The InChIKey is KPTFFRYIFHSDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.C10H16N2O3.C10H15NS.C8H12N2O.2C8H12N2.C7H10N2O.C7H10N2.C6H9N3/c1-9(2)10-4-5-11(13)12(8-10)6-7-14-3;1-7(2)9-3-12-10(4-11-9)15-6-8(14)5-13;1-7(2)10-11-8-5-3-4-6-9(8)12-10;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;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/h4-5,8-9H,6-7H2,1-3H3;3-4,7-8,13-14H,5-6H2,1-2H3;7H,3-6H2,1-2H3;4-6H,1-3H3;2*4-6H,1-3H3;3-5H,1-2H3,(H,9,10);3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1396.91 g/mol, XLogP of 14.01, 17 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159204873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).