5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine

C22H30N4 — CID 24758075

IUPAC5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine
SMILESCCC(CC)c1cc(C)n2nc(-c3cnc(N(C)C)cc3C)c(C)cc12
InChIInChI=1S/C22H30N4/c1-8-17(9-2)18-12-16(5)26-20(18)10-15(4)22(24-26)19-13-23-21(25(6)7)11-14(19)3/h10-13,17H,8-9H2,1-7H3
InChIKeyLGWUMHUYVUKXAC-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.29
Rot. Bonds5

About 5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine

5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine (PubChem CID 24758075) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine
PubChem CID24758075
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine
SMILESCCC(CC)c1cc(C)n2nc(-c3cnc(N(C)C)cc3C)c(C)cc12
InChIInChI=1S/C22H30N4/c1-8-17(9-2)18-12-16(5)26-20(18)10-15(4)22(24-26)19-13-23-21(25(6)7)11-14(19)3/h10-13,17H,8-9H2,1-7H3
InChIKeyLGWUMHUYVUKXAC-UHFFFAOYSA-N
XLogP5.29
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine?
The IUPAC name of 5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine (CID 24758075) is 5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine.
What is the SMILES notation for 5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine?
The canonical SMILES for 5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine is CCC(CC)c1cc(C)n2nc(-c3cnc(N(C)C)cc3C)c(C)cc12.
What is the InChIKey of 5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine?
The InChIKey is LGWUMHUYVUKXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-8-17(9-2)18-12-16(5)26-20(18)10-15(4)22(24-26)19-13-23-21(25(6)7)11-14(19)3/h10-13,17H,8-9H2,1-7H3.
What are the key properties of 5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine?
5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine has a molecular weight of 350.51 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazin-2-yl)-N,N,4-trimethylpyridin-2-amine is sourced from PubChem (CID 24758075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).