3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine

C15H14F3N3 — CID 71528503

IUPAC3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine
SMILESFC(F)(F)c1cccc(-c2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C15H14F3N3/c16-15(17,18)12-5-3-4-11(10-12)13-6-7-14(20-19-13)21-8-1-2-9-21/h3-7,10H,1-2,8-9H2
InChIKeyUYWHWKVXQLLIDE-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.76
Rot. Bonds2

About 3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine

3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine (PubChem CID 71528503) has the molecular formula C15H14F3N3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine
PubChem CID71528503
Molecular FormulaC15H14F3N3
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine
SMILESFC(F)(F)c1cccc(-c2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C15H14F3N3/c16-15(17,18)12-5-3-4-11(10-12)13-6-7-14(20-19-13)21-8-1-2-9-21/h3-7,10H,1-2,8-9H2
InChIKeyUYWHWKVXQLLIDE-UHFFFAOYSA-N
XLogP3.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-[3-(Trifluoromethyl)phenyl]pyridazin-3-yl]morpholine
CID 46226083
(3H)A-585539
CID 23643135
N,N-Dimethyl-6-phenyl-3-pyridazinamine
CID 645991
3-(4-Methylpiperazin-1-yl)-6-phenylpyridazine
CID 10354969
2-Methyl-5-(6-phenyl-pyridazin-3-yl)octahydro-pyrrolo(3,4-c)pyrrole
CID 11173546
(1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 15462089
A-582941 free base
CID 44190553
2-(111C)methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 44815470
4-[6-[2,3-Bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine
CID 46226085
N,N-Dimethyl-N''-(4-methyl-6-phenyl-pyridazin-3-yl)-ethane-1,2-diamine
CID 6410805
N,N-Diethyl-N''-(4-methyl-6-phenyl-pyridazin-3-yl)-ethane-1,2-diamine
CID 6410807
N,N-dimethyl-6-(phenylethynyl)pyridazin-3-amine
CID 10059467

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine (CID 71528503) is 3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine is FC(F)(F)c1cccc(-c2ccc(N3CCCC3)nn2)c1.
What is the InChIKey of 3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is UYWHWKVXQLLIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3/c16-15(17,18)12-5-3-4-11(10-12)13-6-7-14(20-19-13)21-8-1-2-9-21/h3-7,10H,1-2,8-9H2.
What are the key properties of 3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine?
3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 293.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 71528503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).