3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile

C11H11F3N4 — CID 80510057

IUPAC3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)9-2-1-5-18(7-9)10-8(6-15)3-4-16-17-10/h3-4,9H,1-2,5,7H2
InChIKeyVOGFFCBVOYOFKB-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.13
Rot. Bonds1

About 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile

3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile (PubChem CID 80510057) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile
PubChem CID80510057
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)9-2-1-5-18(7-9)10-8(6-15)3-4-16-17-10/h3-4,9H,1-2,5,7H2
InChIKeyVOGFFCBVOYOFKB-UHFFFAOYSA-N
XLogP2.13
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-cyanopyridazin-3-yl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197968
1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid
CID 80507826
2-[3-(trifluoromethyl)piperidin-1-yl]benzonitrile
CID 60677832
3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509512
3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile
CID 80510417
2-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]benzonitrile
CID 107276465
3-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]benzonitrile
CID 107106996
5-[3-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
CID 164852052
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509809
4-(4-cyanopyridazin-3-yl)morpholine-2-carbonitrile
CID 80508208
3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 80515322
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridazine-4-carbonitrile
CID 80510301

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile (CID 80510057) is 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile is N#Cc1ccnnc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is VOGFFCBVOYOFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c12-11(13,14)9-2-1-5-18(7-9)10-8(6-15)3-4-16-17-10/h3-4,9H,1-2,5,7H2.
What are the key properties of 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile?
3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 256.23 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).