2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine

C19H19F3N4 — CID 169204862

IUPAC2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine
SMILESC=CC(=C)N1CCN(c2nccnc2-c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F3N4/c1-3-14(2)25-10-12-26(13-11-25)18-17(23-8-9-24-18)15-4-6-16(7-5-15)19(20,21)22/h3-9H,1-2,10-13H2
InChIKeyCPHVVFQOWIFNRY-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine

2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine (PubChem CID 169204862) has the molecular formula C19H19F3N4 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine.

Molecular Properties

Compound Name2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine
PubChem CID169204862
Molecular FormulaC19H19F3N4
Molecular Weight360.38 g/mol
Exact Mass360.16
IUPAC Name2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine
SMILESC=CC(=C)N1CCN(c2nccnc2-c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F3N4/c1-3-14(2)25-10-12-26(13-11-25)18-17(23-8-9-24-18)15-4-6-16(7-5-15)19(20,21)22/h3-9H,1-2,10-13H2
InChIKeyCPHVVFQOWIFNRY-UHFFFAOYSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-pyridin-4-ylpyrazin-2-yl)piperazine-1-carboxamide
CID 88901819
4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid
CID 68595845
(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950861
2-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]pyrazine;dihydrochloride
CID 68595238
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023
4-piperidin-1-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine
CID 83289073
3-buta-1,3-dien-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine
CID 123518452
(4-pyrimidin-2-ylpiperazin-1-yl)-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanone
CID 68702242
1-[(2R)-2-(hydroxymethyl)-4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazin-1-yl]prop-2-en-1-one
CID 172634926
2,3-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134617538
1-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]-3-[4-(3-morpholin-4-ylpyrazin-2-yl)phenyl]propan-2-one
CID 159497289

Frequently Asked Questions

What is the IUPAC name of 2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine?
The IUPAC name of 2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine (CID 169204862) is 2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine.
What is the SMILES notation for 2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine?
The canonical SMILES for 2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine is C=CC(=C)N1CCN(c2nccnc2-c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine?
The InChIKey is CPHVVFQOWIFNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4/c1-3-14(2)25-10-12-26(13-11-25)18-17(23-8-9-24-18)15-4-6-16(7-5-15)19(20,21)22/h3-9H,1-2,10-13H2.
What are the key properties of 2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine?
2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine has a molecular weight of 360.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-buta-1,3-dien-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]pyrazine is sourced from PubChem (CID 169204862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).