N-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine

C22H30N4 — CID 22474431

IUPACN-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine
SMILESCCCN(CC)c1cc(C)nn2c(-c3c(C)cc(C)cc3C)nc(C)c12
InChIInChI=1S/C22H30N4/c1-8-10-25(9-2)19-13-17(6)24-26-21(19)18(7)23-22(26)20-15(4)11-14(3)12-16(20)5/h11-13H,8-10H2,1-7H3
InChIKeyPZSCNUGINMIBKH-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.17
Rot. Bonds5

About N-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine

N-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine (PubChem CID 22474431) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine
PubChem CID22474431
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC NameN-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine
SMILESCCCN(CC)c1cc(C)nn2c(-c3c(C)cc(C)cc3C)nc(C)c12
InChIInChI=1S/C22H30N4/c1-8-10-25(9-2)19-13-17(6)24-26-21(19)18(7)23-22(26)20-15(4)11-14(3)12-16(20)5/h11-13H,8-10H2,1-7H3
InChIKeyPZSCNUGINMIBKH-UHFFFAOYSA-N
XLogP5.17
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 ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine (CID 22474431) is N-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine is CCCN(CC)c1cc(C)nn2c(-c3c(C)cc(C)cc3C)nc(C)c12.
What is the InChIKey of N-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine?
The InChIKey is PZSCNUGINMIBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-8-10-25(9-2)19-13-17(6)24-26-21(19)18(7)23-22(26)20-15(4)11-14(3)12-16(20)5/h11-13H,8-10H2,1-7H3.
What are the key properties of N-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine?
N-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine has a molecular weight of 350.51 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-N-propyl-7-(2,4,6-trimethylphenyl)imidazo[1,5-b]pyridazin-4-amine is sourced from PubChem (CID 22474431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).