2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine

C23H30N2O — CID 22474422

IUPAC2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine
SMILESCCC(CC)Oc1cc(C)nn2c(-c3c(C)cc(C)cc3C)cc(C)c12
InChIInChI=1S/C23H30N2O/c1-8-19(9-2)26-21-13-18(7)24-25-20(12-17(6)23(21)25)22-15(4)10-14(3)11-16(22)5/h10-13,19H,8-9H2,1-7H3
InChIKeySUCIQWGCYMQZHP-UHFFFAOYSA-N
MW350.51 g/mol
LogP6.11
Rot. Bonds5

About 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine

2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine (PubChem CID 22474422) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine
PubChem CID22474422
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine
SMILESCCC(CC)Oc1cc(C)nn2c(-c3c(C)cc(C)cc3C)cc(C)c12
InChIInChI=1S/C23H30N2O/c1-8-19(9-2)26-21-13-18(7)24-25-20(12-17(6)23(21)25)22-15(4)10-14(3)11-16(22)5/h10-13,19H,8-9H2,1-7H3
InChIKeySUCIQWGCYMQZHP-UHFFFAOYSA-N
XLogP6.11
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine
CID 22474402
1,2,5-trimethyl-7-pentan-3-yloxy-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridine
CID 22474345
2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine
CID 22474421
N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 62484244
6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine
CID 22291304
methyl 2-chloro-6-methyl-4-pentan-3-yloxypyridine-3-carboxylate
CID 24806871
2-ethyl-1-pentan-3-yl-5-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-1-ium
CID 58764329
N-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine
CID 22474431
N-[2-(2-fluorophenoxy)butyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133492586
1,4-dibromo-2,5-di(pentan-3-yloxy)benzene
CID 102111957
1,2-dimethyl-3-pentan-3-yloxybenzene
CID 103432359
1,5-dimethyl-N-pentan-3-yl-3-(2,4,6-trimethylphenyl)pyrazolo[4,3-b]pyridin-7-amine
CID 22474336

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine?
The IUPAC name of 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine (CID 22474422) is 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine?
The canonical SMILES for 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine is CCC(CC)Oc1cc(C)nn2c(-c3c(C)cc(C)cc3C)cc(C)c12.
What is the InChIKey of 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine?
The InChIKey is SUCIQWGCYMQZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-8-19(9-2)26-21-13-18(7)24-25-20(12-17(6)23(21)25)22-15(4)10-14(3)11-16(22)5/h10-13,19H,8-9H2,1-7H3.
What are the key properties of 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine?
2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine has a molecular weight of 350.51 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-pentan-3-yloxy-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 22474422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).