6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine

C27H37N3O3 — CID 142851987

IUPAC6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine
SMILESCCOc1ccc(C2C(C)=c3c(C)nnc(NCCC4CCCCO4)c3=C2C)c(OCC)c1
InChIInChI=1S/C27H37N3O3/c1-6-31-21-11-12-22(23(16-21)32-7-2)24-17(3)25-19(5)29-30-27(26(25)18(24)4)28-14-13-20-10-8-9-15-33-20/h11-12,16,20,24H,6-10,13-15H2,1-5H3,(H,28,30)
InChIKeyATHNCEYYPSDVDB-UHFFFAOYSA-N
MW451.61 g/mol
LogP4.09
Rot. Bonds9

About 6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine

6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine (PubChem CID 142851987) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is 6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine.

Molecular Properties

Compound Name6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine
PubChem CID142851987
Molecular FormulaC27H37N3O3
Molecular Weight451.61 g/mol
Exact Mass451.28
IUPAC Name6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine
SMILESCCOc1ccc(C2C(C)=c3c(C)nnc(NCCC4CCCCO4)c3=C2C)c(OCC)c1
InChIInChI=1S/C27H37N3O3/c1-6-31-21-11-12-22(23(16-21)32-7-2)24-17(3)25-19(5)29-30-27(26(25)18(24)4)28-14-13-20-10-8-9-15-33-20/h11-12,16,20,24H,6-10,13-15H2,1-5H3,(H,28,30)
InChIKeyATHNCEYYPSDVDB-UHFFFAOYSA-N
XLogP4.09
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine with MolForge

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Related Compounds

5-ethoxy-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 80738968
2-methyl-N-[2-(oxan-2-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104925300
N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103990755
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992776
5-(2,4-dimethoxyphenyl)-N-[2-[(2R)-oxan-2-yl]ethyl]-1,2,4-triazin-3-amine
CID 25369060
N-(3-chloro-4-morpholin-4-ylphenyl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-(4-ethoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxyphenyl)-1,5,7-trimethyl-N-propan-2-ylpyrrolo[3,4-d]pyridazin-4-amine
CID 157181710
1-(4-ethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63952921
2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine
CID 55233551
N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163939
1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine
CID 60908110
1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47264843
3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 114135773

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine?
The IUPAC name of 6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine (CID 142851987) is 6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine.
What is the SMILES notation for 6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine?
The canonical SMILES for 6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine is CCOc1ccc(C2C(C)=c3c(C)nnc(NCCC4CCCCO4)c3=C2C)c(OCC)c1.
What is the InChIKey of 6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine?
The InChIKey is ATHNCEYYPSDVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3/c1-6-31-21-11-12-22(23(16-21)32-7-2)24-17(3)25-19(5)29-30-27(26(25)18(24)4)28-14-13-20-10-8-9-15-33-20/h11-12,16,20,24H,6-10,13-15H2,1-5H3,(H,28,30).
What are the key properties of 6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine?
6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine has a molecular weight of 451.61 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-diethoxyphenyl)-1,5,7-trimethyl-N-[2-(oxan-2-yl)ethyl]-6H-cyclopenta[d]pyridazin-4-amine is sourced from PubChem (CID 142851987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).