3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

C238H411ClN44O16S5 — CID 159605668

About 3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene

3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 159605668) has the molecular formula C238H411ClN44O16S5 and a molecular weight of 4340.99 g/mol. Its IUPAC name is 3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: 3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
• PubChem CID: 159605668
• Molecular Formula: C238H411ClN44O16S5
• Molecular Weight: 4340.99 g/mol
• Exact Mass: 4337.10
• IUPAC Name: 3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
• SMILES: CC(=O)N1CCC(C(C)C)CC1.CC(=O)NCCC(C)C.CC(=O)NCCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)CCNC(=O)c1nnco1.CC(C)CCc1cnccn1.CC(C)c1ccccc1.CC(C)c1cccnn1.CC(C)c1cnccn1.CC(C)c1cnn(C)n1.CC(C)c1ncccn1.CC(C)c1nnco1.CC(C)c1nncs1.CCC(C)C.CCC(C)C.CCCC(C)C.CCOCCC(C)C.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccoc1=O.O=c1ccc(Cl)n[nH]1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnoc1.c1cnsc1.c1cocn1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1
• InChI: InChI=1S/C10H19NO.C9H14N2.C9H12.C8H13N3O2.3C7H10N2.2C7H15NO.C7H16O.C6H11N3.C6H14.C5H8N2O.C5H8N2S.C5H7N.5C5H5N.2C5H12.C4H3ClN2O.2C4H6N2.C4H5NO2.C4H4O.C4H4S.13C4H10.4C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)3-4-9-7-10-5-6-11-9;1-8(2)9-6-4-3-5-7-9;1-6(2)3-4-9-7(12)8-11-10-5-13-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)4-5-8-7(3)9;1-4-8-6-5-7(2)3;1-5(2)6-4-7-9(3)8-6;1-4-5-6(2)3;2*1-4(2)5-7-6-3-8-5;1-6-4-2-3-5-6;5*1-2-4-6-5-3-1;2*1-4-5(2)3;5-3-1-2-4(8)7-6-3;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-5-2-3-7-4(5)6;2*1-2-4-5-3-1;13*1-4(2)3;2*1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1/h8,10H,4-7H2,1-3H3;5-8H,3-4H2,1-2H3;3-8H,1-2H3;5-6H,3-4H2,1-2H3,(H,9,12);3*3-6H,1-2H3;2*6H,4-5H2,1-3H3,(H,8,9);7H,4-6H2,1-3H3;4-5H,1-3H3;6H,4-5H2,1-3H3;2*3-4H,1-2H3;2-5H,1H3;5*1-5H;2*5H,4H2,1-3H3;1-2H,(H,7,8);2*2-4H,1H3;2-3H,1H3;2*1-4H;13*4H,1-3H3;6*1-3H;2*1-2H
• InChIKey: MMAXPHAGWMFBAC-UHFFFAOYSA-N
• XLogP: 65.07
• TPSA: 747.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 60
• Rotatable Bonds: 29
• Heavy Atoms: 304
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4340.99
LogP ≤ 5	65.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The IUPAC name of 3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene (CID 159605668) is 3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene.

What is the SMILES notation for 3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The canonical SMILES for 3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene is CC(=O)N1CCC(C(C)C)CC1.CC(=O)NCCC(C)C.CC(=O)NCCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)CCNC(=O)c1nnco1.CC(C)CCc1cnccn1.CC(C)c1ccccc1.CC(C)c1cccnn1.CC(C)c1cnccn1.CC(C)c1cnn(C)n1.CC(C)c1ncccn1.CC(C)c1nnco1.CC(C)c1nncs1.CCC(C)C.CCC(C)C.CCCC(C)C.CCOCCC(C)C.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1ccoc1=O.O=c1ccc(Cl)n[nH]1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnoc1.c1cnsc1.c1cocn1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.

What is the InChIKey of 3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

The InChIKey is MMAXPHAGWMFBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C9H14N2.C9H12.C8H13N3O2.3C7H10N2.2C7H15NO.C7H16O.C6H11N3.C6H14.C5H8N2O.C5H8N2S.C5H7N.5C5H5N.2C5H12.C4H3ClN2O.2C4H6N2.C4H5NO2.C4H4O.C4H4S.13C4H10.4C3H3NO.2C3H3NS.C2H2N2O.C2H2N2S/c1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)3-4-9-7-10-5-6-11-9;1-8(2)9-6-4-3-5-7-9;1-6(2)3-4-9-7(12)8-11-10-5-13-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)4-5-8-7(3)9;1-4-8-6-5-7(2)3;1-5(2)6-4-7-9(3)8-6;1-4-5-6(2)3;2*1-4(2)5-7-6-3-8-5;1-6-4-2-3-5-6;5*1-2-4-6-5-3-1;2*1-4-5(2)3;5-3-1-2-4(8)7-6-3;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-5-2-3-7-4(5)6;2*1-2-4-5-3-1;13*1-4(2)3;2*1-2-5-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1/h8,10H,4-7H2,1-3H3;5-8H,3-4H2,1-2H3;3-8H,1-2H3;5-6H,3-4H2,1-2H3,(H,9,12);3*3-6H,1-2H3;2*6H,4-5H2,1-3H3,(H,8,9);7H,4-6H2,1-3H3;4-5H,1-3H3;6H,4-5H2,1-3H3;2*3-4H,1-2H3;2-5H,1H3;5*1-5H;2*5H,4H2,1-3H3;1-2H,(H,7,8);2*2-4H,1H3;2-3H,1H3;2*1-4H;13*4H,1-3H3;6*1-3H;2*1-2H.

What are the key properties of 3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene?

3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 4340.99 g/mol, XLogP of 65.07, 29 rotatable bonds, 4 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-1H-pyridazin-6-one;cumene;1-ethoxy-3-methylbutane;furan;bis(2-methylbutane);bis(N-(3-methylbutyl)acetamide);N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide;2-(3-methylbutyl)pyrazine;1-methylimidazole;3-methyl-1,3-oxazol-2-one;2-methylpentane;tridecakis(2-methylpropane);2-methyl-4-propan-2-yltriazole;1-methylpyrazole;1-methylpyrrole;1,2,4-oxadiazole;bis(1,2-oxazole);bis(1,3-oxazole);2-propan-2-yl-1,3,4-oxadiazole;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;pentakis(pyridine);1,2,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 159605668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).