ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine

C78H114N6 — CID 161204846

About ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine

ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine (PubChem CID 161204846) has the molecular formula C78H114N6 and a molecular weight of 1135.81 g/mol. Its IUPAC name is ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine
• PubChem CID: 161204846
• Molecular Formula: C78H114N6
• Molecular Weight: 1135.81 g/mol
• Exact Mass: 1134.91
• IUPAC Name: ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine
• SMILES: CC.CC.CC.CC.CC.CC.CC1=C(C)c2c(C)cccc2C1.CC1=C(C)c2c(C)ccnc2C1.CC1=C(C)c2c(C)cncc2C1.CC1=C(C)c2c(ccnc2C)C1.Cc1cn2cccc(C)c2c1C.Cc1cn2nccc(C)c2c1C
• InChI: InChI=1S/C12H14.4C11H13N.C10H12N2.6C2H6/c1-8-5-4-6-11-7-9(2)10(3)12(8)11;1-7-4-10-6-12-5-8(2)11(10)9(7)3;1-7-6-10-4-5-12-9(3)11(10)8(7)2;1-7-4-5-12-10-6-8(2)9(3)11(7)10;1-8-5-4-6-12-7-9(2)10(3)11(8)12;1-7-4-5-11-12-6-8(2)9(3)10(7)12;6*1-2/h4-6H,7H2,1-3H3;5-6H,4H2,1-3H3;2*4-5H,6H2,1-3H3;4-7H,1-3H3;4-6H,1-3H3;6*1-2H3
• InChIKey: UVLPPHLVYBDCLG-UHFFFAOYSA-N
• XLogP: 22.84
• TPSA: 60.38 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1135.81
LogP ≤ 5	22.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine?

The IUPAC name of ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine (CID 161204846) is ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine.

What is the SMILES notation for ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine?

The canonical SMILES for ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine is CC.CC.CC.CC.CC.CC.CC1=C(C)c2c(C)cccc2C1.CC1=C(C)c2c(C)ccnc2C1.CC1=C(C)c2c(C)cncc2C1.CC1=C(C)c2c(ccnc2C)C1.Cc1cn2cccc(C)c2c1C.Cc1cn2nccc(C)c2c1C.

What is the InChIKey of ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine?

The InChIKey is UVLPPHLVYBDCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.4C11H13N.C10H12N2.6C2H6/c1-8-5-4-6-11-7-9(2)10(3)12(8)11;1-7-4-10-6-12-5-8(2)11(10)9(7)3;1-7-6-10-4-5-12-9(3)11(10)8(7)2;1-7-4-5-12-10-6-8(2)9(3)11(7)10;1-8-5-4-6-12-7-9(2)10(3)11(8)12;1-7-4-5-11-12-6-8(2)9(3)10(7)12;6*1-2/h4-6H,7H2,1-3H3;5-6H,4H2,1-3H3;2*4-5H,6H2,1-3H3;4-7H,1-3H3;4-6H,1-3H3;6*1-2H3.

What are the key properties of ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine?

ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine has a molecular weight of 1135.81 g/mol, XLogP of 22.84, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4,5,6-trimethyl-7H-cyclopenta[b]pyridine;1,6,7-trimethyl-5H-cyclopenta[c]pyridine;4,5,6-trimethyl-7H-cyclopenta[c]pyridine;2,3,4-trimethyl-1H-indene;1,2,8-trimethylindolizine;4,5,6-trimethylpyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 161204846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).