2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile

C18H19F3N6 — CID 59191484

IUPAC2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile
SMILESCc1c(CC#N)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C
InChIInChI=1S/C18H19F3N6/c1-12-13(2)17(25-24-15(12)5-6-22)27-9-7-26(8-10-27)16-4-3-14(11-23-16)18(19,20)21/h3-4,11H,5,7-10H2,1-2H3
InChIKeyIFEFXHNKLBYQDG-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.90
Rot. Bonds3

About 2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile

2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile (PubChem CID 59191484) has the molecular formula C18H19F3N6 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile
PubChem CID59191484
Molecular FormulaC18H19F3N6
Molecular Weight376.39 g/mol
Exact Mass376.16
IUPAC Name2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile
SMILESCc1c(CC#N)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C
InChIInChI=1S/C18H19F3N6/c1-12-13(2)17(25-24-15(12)5-6-22)27-9-7-26(8-10-27)16-4-3-14(11-23-16)18(19,20)21/h3-4,11H,5,7-10H2,1-2H3
InChIKeyIFEFXHNKLBYQDG-UHFFFAOYSA-N
XLogP2.90
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]methanamine
CID 162561444
4,5-dimethyl-3-[(1-methyltetrazol-5-yl)methyl]-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 59191454
N'-(dimethylamino)-2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]ethanimidamide
CID 143926444
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
3-[(4-fluorophenyl)methyl]-4-methyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 57471599
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
5,6-dimethyl-3-oxo-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]pyridazine-4-carbonitrile
CID 9240078
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
CID 174557120
2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile
CID 155973955
5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 59232490

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile?
The IUPAC name of 2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile (CID 59191484) is 2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile.
What is the SMILES notation for 2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile?
The canonical SMILES for 2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile is Cc1c(CC#N)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C.
What is the InChIKey of 2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile?
The InChIKey is IFEFXHNKLBYQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6/c1-12-13(2)17(25-24-15(12)5-6-22)27-9-7-26(8-10-27)16-4-3-14(11-23-16)18(19,20)21/h3-4,11H,5,7-10H2,1-2H3.
What are the key properties of 2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile?
2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile has a molecular weight of 376.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazin-3-yl]acetonitrile is sourced from PubChem (CID 59191484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).