(3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine

C9H16F3N5 — CID 145198260

IUPAC(3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine
SMILESNC(N)=C/C=C(\N)N1CCNCC1C(F)(F)F
InChIInChI=1S/C9H16F3N5/c10-9(11,12)6-5-16-3-4-17(6)8(15)2-1-7(13)14/h1-2,6,16H,3-5,13-15H2/b8-2+
InChIKeyYNIYEYKZHGJYJP-KRXBUXKQSA-N
MW251.26 g/mol
LogP-0.62
Rot. Bonds2

About (3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine

(3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine (PubChem CID 145198260) has the molecular formula C9H16F3N5 and a molecular weight of 251.26 g/mol. Its IUPAC name is (3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine
PubChem CID145198260
Molecular FormulaC9H16F3N5
Molecular Weight251.26 g/mol
Exact Mass251.14
IUPAC Name(3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine
SMILESNC(N)=C/C=C(\N)N1CCNCC1C(F)(F)F
InChIInChI=1S/C9H16F3N5/c10-9(11,12)6-5-16-3-4-17(6)8(15)2-1-7(13)14/h1-2,6,16H,3-5,13-15H2/b8-2+
InChIKeyYNIYEYKZHGJYJP-KRXBUXKQSA-N
XLogP-0.62
TPSA93.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine 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

(1E,3Z)-1-[2-(trifluoromethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406643
(1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406739
ethane;(1E,3Z)-1-[3-(trifluoromethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 145197589
(3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine
CID 178030180
(1E,3Z)-1-[3-(trifluoromethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 145197590
CID 178478739
CID 178478739

Frequently Asked Questions

What is the IUPAC name of (3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine?
The IUPAC name of (3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine (CID 145198260) is (3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine is NC(N)=C/C=C(\N)N1CCNCC1C(F)(F)F.
What is the InChIKey of (3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine?
The InChIKey is YNIYEYKZHGJYJP-KRXBUXKQSA-N. The full InChI is InChI=1S/C9H16F3N5/c10-9(11,12)6-5-16-3-4-17(6)8(15)2-1-7(13)14/h1-2,6,16H,3-5,13-15H2/b8-2+.
What are the key properties of (3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine?
(3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine has a molecular weight of 251.26 g/mol, XLogP of -0.62, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-[2-(trifluoromethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 145198260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).