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

C23H30N2 — CID 24758071

IUPAC3,7-dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine
SMILESCCC(CC)c1cc(C)n2nc(-c3cc(C)c(C)cc3C)c(C)cc12
InChIInChI=1S/C23H30N2/c1-8-19(9-2)21-13-18(7)25-22(21)12-17(6)23(24-25)20-11-15(4)14(3)10-16(20)5/h10-13,19H,8-9H2,1-7H3
InChIKeyAMZRQRYADJTJOL-UHFFFAOYSA-N
MW334.51 g/mol
LogP6.45
Rot. Bonds4

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

3,7-dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine (PubChem CID 24758071) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 3,7-dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name3,7-dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine
PubChem CID24758071
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name3,7-dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine
SMILESCCC(CC)c1cc(C)n2nc(-c3cc(C)c(C)cc3C)c(C)cc12
InChIInChI=1S/C23H30N2/c1-8-19(9-2)21-13-18(7)25-22(21)12-17(6)23(24-25)20-11-15(4)14(3)10-16(20)5/h10-13,19H,8-9H2,1-7H3
InChIKeyAMZRQRYADJTJOL-UHFFFAOYSA-N
XLogP6.45
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine?
The IUPAC name of 3,7-dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine (CID 24758071) is 3,7-dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 3,7-dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine?
The canonical SMILES for 3,7-dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine is CCC(CC)c1cc(C)n2nc(-c3cc(C)c(C)cc3C)c(C)cc12.
What is the InChIKey of 3,7-dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine?
The InChIKey is AMZRQRYADJTJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2/c1-8-19(9-2)21-13-18(7)25-22(21)12-17(6)23(24-25)20-11-15(4)14(3)10-16(20)5/h10-13,19H,8-9H2,1-7H3.
What are the key properties of 3,7-dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine?
3,7-dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine has a molecular weight of 334.51 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 24758071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).