1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine

C158H255N15O5 — CID 160591754

About 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine

1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine (PubChem CID 160591754) has the molecular formula C158H255N15O5 and a molecular weight of 2444.88 g/mol. Its IUPAC name is 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine.

Molecular Properties

• Compound Name: 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine
• PubChem CID: 160591754
• Molecular Formula: C158H255N15O5
• Molecular Weight: 2444.88 g/mol
• Exact Mass: 2443.02
• IUPAC Name: 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine
• SMILES: C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccccc2c1.Cc1ccc2ccn(C)c2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnncc2c1.Cc1ccc2cnoc2c1.Cc1ccc2ncoc2c1.Cc1ccc2nnccc2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1
• InChI: InChI=1S/C11H10.C10H11NO.2C10H11N.2C9H10N2.2C9H8N2.4C8H7NO.24C2H6.CH4/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-3-4-9-5-6-11(2)10(9)7-8;1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-2-3-8-5-10-11-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-11-9;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;24*1-2;/h2-8H,1H3;3-5H,6H2,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;2*2-6H,1H3;4*2-5H,1H3;24*1-2H3;1H4
• InChIKey: RDCQZGGMSTVDIX-UHFFFAOYSA-N
• XLogP: 51.15
• TPSA: 221.49 Ų
• H-Bond Acceptors: 19
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2444.88
LogP ≤ 5	51.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine?

The IUPAC name of 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine (CID 160591754) is 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine.

What is the SMILES notation for 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine?

The canonical SMILES for 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccccc2c1.Cc1ccc2ccn(C)c2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnncc2c1.Cc1ccc2cnoc2c1.Cc1ccc2ncoc2c1.Cc1ccc2nnccc2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1.

What is the InChIKey of 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine?

The InChIKey is RDCQZGGMSTVDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C10H11NO.2C10H11N.2C9H10N2.2C9H8N2.4C8H7NO.24C2H6.CH4/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-3-4-9-5-6-11(2)10(9)7-8;1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-2-3-8-5-10-11-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-11-9;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;24*1-2;/h2-8H,1H3;3-5H,6H2,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;2*2-6H,1H3;4*2-5H,1H3;24*1-2H3;1H4.

What are the key properties of 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine?

1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine has a molecular weight of 2444.88 g/mol, XLogP of 51.15, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;2-methylnaphthalene;6-methylphthalazine is sourced from PubChem (CID 160591754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).