1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile

C13H11N7 — CID 126900656

IUPAC1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CN(c3ccc4nccn4n3)C2)c1
InChIInChI=1S/C13H11N7/c14-5-10-6-16-20(7-10)11-8-18(9-11)13-2-1-12-15-3-4-19(12)17-13/h1-4,6-7,11H,8-9H2
InChIKeyCMLMZYLXJITPMN-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.86
Rot. Bonds2

About 1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile

1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile (PubChem CID 126900656) has the molecular formula C13H11N7 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile
PubChem CID126900656
Molecular FormulaC13H11N7
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CN(c3ccc4nccn4n3)C2)c1
InChIInChI=1S/C13H11N7/c14-5-10-6-16-20(7-10)11-8-18(9-11)13-2-1-12-15-3-4-19(12)17-13/h1-4,6-7,11H,8-9H2
InChIKeyCMLMZYLXJITPMN-UHFFFAOYSA-N
XLogP0.86
TPSA75.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile
CID 126900803
6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine
CID 126893887
5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 155974846
3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide
CID 172882805
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642
1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900886
1-[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900704
6-piperidin-1-ylimidazo[1,2-b]pyridazine
CID 23657730
1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-ol
CID 131704101
1-cyclobutylpyrazole-4-carbonitrile
CID 105429045
1-(thian-4-yl)pyrazole-4-carbonitrile
CID 84733123
6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 134310574

Frequently Asked Questions

What is the IUPAC name of 1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile (CID 126900656) is 1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile is N#Cc1cnn(C2CN(c3ccc4nccn4n3)C2)c1.
What is the InChIKey of 1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile?
The InChIKey is CMLMZYLXJITPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7/c14-5-10-6-16-20(7-10)11-8-18(9-11)13-2-1-12-15-3-4-19(12)17-13/h1-4,6-7,11H,8-9H2.
What are the key properties of 1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile?
1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile has a molecular weight of 265.28 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 126900656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).