N-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine

C13H19N5 — CID 171432210

IUPACN-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1cnc2ccc(NC3CCCNCC3)nn12
InChIInChI=1S/C13H19N5/c1-10-9-15-13-5-4-12(17-18(10)13)16-11-3-2-7-14-8-6-11/h4-5,9,11,14H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyVZYGBSZAKUENBD-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.59
Rot. Bonds2

About N-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine

N-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 171432210) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine
PubChem CID171432210
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1cnc2ccc(NC3CCCNCC3)nn12
InChIInChI=1S/C13H19N5/c1-10-9-15-13-5-4-12(17-18(10)13)16-11-3-2-7-14-8-6-11/h4-5,9,11,14H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyVZYGBSZAKUENBD-UHFFFAOYSA-N
XLogP1.59
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-azaspiro[3.5]nonan-2-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine
CID 171432212
N-(5-methyl-2-pyridinyl)azepan-4-amine
CID 107173810
N-cyclohexyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine;ethane
CID 164537186
N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine
CID 66550306
3-(2-methoxy-3-pyridinyl)-N-[(3R)-piperidin-3-yl]imidazo[1,2-b]pyridazin-6-amine
CID 67959033
N-cyclobutyl-3-(5-fluoro-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 134811095
ethane;N-methyl-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
CID 164537015
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
2-methyl-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
CID 67373203
5-methyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 68833864
N-pyridazin-3-ylazepan-4-amine
CID 107173783
6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide
CID 107173544

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine (CID 171432210) is N-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine is Cc1cnc2ccc(NC3CCCNCC3)nn12.
What is the InChIKey of N-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VZYGBSZAKUENBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-9-15-13-5-4-12(17-18(10)13)16-11-3-2-7-14-8-6-11/h4-5,9,11,14H,2-3,6-8H2,1H3,(H,16,17).
What are the key properties of N-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine?
N-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 245.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-3-methylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 171432210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).