N-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine

C20H27N7 — CID 71615702

IUPACN-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)CCNc1ccc(-c2cnc3ccc(NC4CN(C)C4)nn23)cn1
InChIInChI=1S/C20H27N7/c1-14(2)8-9-21-18-5-4-15(10-22-18)17-11-23-20-7-6-19(25-27(17)20)24-16-12-26(3)13-16/h4-7,10-11,14,16H,8-9,12-13H2,1-3H3,(H,21,22)(H,24,25)
InChIKeyXXZUNVFSODNNMI-UHFFFAOYSA-N
MW365.49 g/mol
LogP2.98
Rot. Bonds7

About N-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine

N-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 71615702) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is N-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID71615702
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC NameN-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)CCNc1ccc(-c2cnc3ccc(NC4CN(C)C4)nn23)cn1
InChIInChI=1S/C20H27N7/c1-14(2)8-9-21-18-5-4-15(10-22-18)17-11-23-20-7-6-19(25-27(17)20)24-16-12-26(3)13-16/h4-7,10-11,14,16H,8-9,12-13H2,1-3H3,(H,21,22)(H,24,25)
InChIKeyXXZUNVFSODNNMI-UHFFFAOYSA-N
XLogP2.98
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine (CID 71615702) is N-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine is CC(C)CCNc1ccc(-c2cnc3ccc(NC4CN(C)C4)nn23)cn1.
What is the InChIKey of N-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is XXZUNVFSODNNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7/c1-14(2)8-9-21-18-5-4-15(10-22-18)17-11-23-20-7-6-19(25-27(17)20)24-16-12-26(3)13-16/h4-7,10-11,14,16H,8-9,12-13H2,1-3H3,(H,21,22)(H,24,25).
What are the key properties of N-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine?
N-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 365.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazetidin-3-yl)-3-[6-(3-methylbutylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 71615702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).