3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile

C11H10N6 — CID 126900417

IUPAC3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CC(n2cccn2)C1
InChIInChI=1S/C11H10N6/c12-6-9-2-4-13-15-11(9)16-7-10(8-16)17-5-1-3-14-17/h1-5,10H,7-8H2
InChIKeyAPMYTMGVEFDEEH-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.61
Rot. Bonds2

About 3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile

3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile (PubChem CID 126900417) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile
PubChem CID126900417
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CC(n2cccn2)C1
InChIInChI=1S/C11H10N6/c12-6-9-2-4-13-15-11(9)16-7-10(8-16)17-5-1-3-14-17/h1-5,10H,7-8H2
InChIKeyAPMYTMGVEFDEEH-UHFFFAOYSA-N
XLogP0.61
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile
CID 80509567
1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid
CID 80508256
3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 114536895
3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509512
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile
CID 126893637
3-(1,3-dihydroisoindol-2-yl)pyridazine-4-carbonitrile
CID 80509508
7-(3-pyrazol-1-ylazetidin-1-yl)furo[2,3-d]pyridazine
CID 126900378
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509809
3-piperazin-1-ylpyridazine-4-carbonitrile
CID 80507407
4-(4-cyanopyridazin-3-yl)morpholine-2-carbonitrile
CID 80508208
2-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine
CID 126900167
3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 80515322

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile?
The IUPAC name of 3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile (CID 126900417) is 3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile is N#Cc1ccnnc1N1CC(n2cccn2)C1.
What is the InChIKey of 3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile?
The InChIKey is APMYTMGVEFDEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-6-9-2-4-13-15-11(9)16-7-10(8-16)17-5-1-3-14-17/h1-5,10H,7-8H2.
What are the key properties of 3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile?
3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 126900417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).