3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine

C14H12Cl2F3N5 — CID 2766875

IUPAC3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
SMILESFC(F)(F)c1cnc(N2CCN(c3ccc(Cl)nn3)CC2)c(Cl)c1
InChIInChI=1S/C14H12Cl2F3N5/c15-10-7-9(14(17,18)19)8-20-13(10)24-5-3-23(4-6-24)12-2-1-11(16)21-22-12/h1-2,7-8H,3-6H2
InChIKeyPEDMGPZAKVCYPN-UHFFFAOYSA-N
MW378.19 g/mol
LogP3.52
Rot. Bonds2

About 3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine

3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine (PubChem CID 2766875) has the molecular formula C14H12Cl2F3N5 and a molecular weight of 378.19 g/mol. Its IUPAC name is 3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
PubChem CID2766875
Molecular FormulaC14H12Cl2F3N5
Molecular Weight378.19 g/mol
Exact Mass377.04
IUPAC Name3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
SMILESFC(F)(F)c1cnc(N2CCN(c3ccc(Cl)nn3)CC2)c(Cl)c1
InChIInChI=1S/C14H12Cl2F3N5/c15-10-7-9(14(17,18)19)8-20-13(10)24-5-3-23(4-6-24)12-2-1-11(16)21-22-12/h1-2,7-8H,3-6H2
InChIKeyPEDMGPZAKVCYPN-UHFFFAOYSA-N
XLogP3.52
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine (CID 2766875) is 3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine is FC(F)(F)c1cnc(N2CCN(c3ccc(Cl)nn3)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
The InChIKey is PEDMGPZAKVCYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F3N5/c15-10-7-9(14(17,18)19)8-20-13(10)24-5-3-23(4-6-24)12-2-1-11(16)21-22-12/h1-2,7-8H,3-6H2.
What are the key properties of 3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine has a molecular weight of 378.19 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 2766875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).