N-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine

C20H25N5O — CID 135018214

IUPACN-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine
SMILESCC(C)(C)Nc1c(-c2ccccc2)nc2ccc(N3CCOCC3)nn12
InChIInChI=1S/C20H25N5O/c1-20(2,3)22-19-18(15-7-5-4-6-8-15)21-16-9-10-17(23-25(16)19)24-11-13-26-14-12-24/h4-10,22H,11-14H2,1-3H3
InChIKeyMHACPCRLHGAPJX-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.44
Rot. Bonds3

About N-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine

N-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine (PubChem CID 135018214) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine
PubChem CID135018214
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine
SMILESCC(C)(C)Nc1c(-c2ccccc2)nc2ccc(N3CCOCC3)nn12
InChIInChI=1S/C20H25N5O/c1-20(2,3)22-19-18(15-7-5-4-6-8-15)21-16-9-10-17(23-25(16)19)24-11-13-26-14-12-24/h4-10,22H,11-14H2,1-3H3
InChIKeyMHACPCRLHGAPJX-UHFFFAOYSA-N
XLogP3.44
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of N-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine (CID 135018214) is N-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for N-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for N-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine is CC(C)(C)Nc1c(-c2ccccc2)nc2ccc(N3CCOCC3)nn12.
What is the InChIKey of N-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine?
The InChIKey is MHACPCRLHGAPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-20(2,3)22-19-18(15-7-5-4-6-8-15)21-16-9-10-17(23-25(16)19)24-11-13-26-14-12-24/h4-10,22H,11-14H2,1-3H3.
What are the key properties of N-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine?
N-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine has a molecular weight of 351.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-morpholin-4-yl-2-phenylimidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 135018214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).