3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile

C17H19N7 — CID 126893637

IUPAC3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C17H19N7/c18-11-14-4-6-20-21-17(14)24-12-15(13-24)22-7-9-23(10-8-22)16-3-1-2-5-19-16/h1-6,15H,7-10,12-13H2
InChIKeyOEZCEXMUFCIGQR-UHFFFAOYSA-N
MW321.39 g/mol
LogP0.75
Rot. Bonds3

About 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile

3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile (PubChem CID 126893637) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile
PubChem CID126893637
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C17H19N7/c18-11-14-4-6-20-21-17(14)24-12-15(13-24)22-7-9-23(10-8-22)16-3-1-2-5-19-16/h1-6,15H,7-10,12-13H2
InChIKeyOEZCEXMUFCIGQR-UHFFFAOYSA-N
XLogP0.75
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126893638
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine
CID 126893689
3-(3-pyrazol-1-ylazetidin-1-yl)pyridazine-4-carbonitrile
CID 126900417
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126892911
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 66195251
1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893375
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 142272690
3-(1,3-dihydroisoindol-2-yl)pyridazine-4-carbonitrile
CID 80509508
3-piperazin-1-ylpyridazine-4-carbonitrile
CID 80507407

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile (CID 126893637) is 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile is N#Cc1ccnnc1N1CC(N2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is OEZCEXMUFCIGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c18-11-14-4-6-20-21-17(14)24-12-15(13-24)22-7-9-23(10-8-22)16-3-1-2-5-19-16/h1-6,15H,7-10,12-13H2.
What are the key properties of 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile?
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 321.39 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 126893637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).