1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine

C18H21N3 — CID 644673

IUPAC1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(C(C)c3ccccc3)c(C)c12
InChIInChI=1S/C18H21N3/c1-11-17-14(4)21(13(3)16-9-7-6-8-10-16)15(5)18(17)12(2)20-19-11/h6-10,13H,1-5H3
InChIKeyPPODLARJHQHUIQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.27
Rot. Bonds2

About 1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine

1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine (PubChem CID 644673) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine.

Molecular Properties

Compound Name1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine
PubChem CID644673
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(C(C)c3ccccc3)c(C)c12
InChIInChI=1S/C18H21N3/c1-11-17-14(4)21(13(3)16-9-7-6-8-10-16)15(5)18(17)12(2)20-19-11/h6-10,13H,1-5H3
InChIKeyPPODLARJHQHUIQ-UHFFFAOYSA-N
XLogP4.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Mebhydrolin
CID 22530
Besipirdine
CID 60691
Nerispirdine
CID 3081185
1,4,5,7-tetramethyl-6-phenyl-6H-pyrrolo[3,4-d]pyridazine
CID 4874234
Ethyl-indol-1-yl-pyridin-4-yl-amine
CID 10561859
Indol-1-yl-methyl-pyridin-4-yl-amine
CID 10799123
Butyl-indol-1-yl-pyridin-4-yl-amine
CID 10801657
(3-Ethyl-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10850308
2-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)aniline
CID 787583
1,4,5,7-Tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
CID 921199
2-methyl-5-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)aniline
CID 706754
(2-Methyl-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10515839

Frequently Asked Questions

What is the IUPAC name of 1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine?
The IUPAC name of 1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine (CID 644673) is 1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine.
What is the SMILES notation for 1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine?
The canonical SMILES for 1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine is Cc1nnc(C)c2c(C)n(C(C)c3ccccc3)c(C)c12.
What is the InChIKey of 1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine?
The InChIKey is PPODLARJHQHUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-11-17-14(4)21(13(3)16-9-7-6-8-10-16)15(5)18(17)12(2)20-19-11/h6-10,13H,1-5H3.
What are the key properties of 1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine?
1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine has a molecular weight of 279.39 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[3,4-d]pyridazine is sourced from PubChem (CID 644673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).