3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile

C11H14N4O — CID 80516021

IUPAC3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1OCC1CCCCN1
InChIInChI=1S/C11H14N4O/c12-7-9-4-6-14-15-11(9)16-8-10-3-1-2-5-13-10/h4,6,10,13H,1-3,5,8H2
InChIKeyYTUOWAPBBTYQRY-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.87
Rot. Bonds3

About 3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile

3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile (PubChem CID 80516021) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
PubChem CID80516021
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1OCC1CCCCN1
InChIInChI=1S/C11H14N4O/c12-7-9-4-6-14-15-11(9)16-8-10-3-1-2-5-13-10/h4,6,10,13H,1-3,5,8H2
InChIKeyYTUOWAPBBTYQRY-UHFFFAOYSA-N
XLogP0.87
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80515109
6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile
CID 62348215
3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 106641792
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile
CID 106641449
2-(piperidin-2-ylmethoxy)pyridin-3-ol;hydrochloride
CID 71646420
5,6-dimethyl-3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516526
2-bromo-4-(piperidin-2-ylmethoxy)benzonitrile
CID 107281541
4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile
CID 62349565
2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
CID 94406444
3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridazine;hydrochloride
CID 167527179
2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-4-carbonitrile
CID 94406446
3-(piperidin-2-ylmethoxy)benzonitrile
CID 63297477

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile?
The IUPAC name of 3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile (CID 80516021) is 3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile is N#Cc1ccnnc1OCC1CCCCN1.
What is the InChIKey of 3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile?
The InChIKey is YTUOWAPBBTYQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-7-9-4-6-14-15-11(9)16-8-10-3-1-2-5-13-10/h4,6,10,13H,1-3,5,8H2.
What are the key properties of 3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile?
3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80516021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).