(Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine

C15H23F3N4 — CID 171811521

IUPAC(Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine
SMILESCC(C)C/N=C(/C=C(\N)C(F)(F)F)C1=CC(C(C)C)=CNN1
InChIInChI=1S/C15H23F3N4/c1-9(2)7-20-12(6-14(19)15(16,17)18)13-5-11(10(3)4)8-21-22-13/h5-6,8-10,21-22H,7,19H2,1-4H3/b14-6-,20-12-
InChIKeyUUVAESCQXUXONA-QDPVGCCXSA-N
MW316.37 g/mol
LogP3.02
Rot. Bonds5

About (Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine

(Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine (PubChem CID 171811521) has the molecular formula C15H23F3N4 and a molecular weight of 316.37 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine
PubChem CID171811521
Molecular FormulaC15H23F3N4
Molecular Weight316.37 g/mol
Exact Mass316.19
IUPAC Name(Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine
SMILESCC(C)C/N=C(/C=C(\N)C(F)(F)F)C1=CC(C(C)C)=CNN1
InChIInChI=1S/C15H23F3N4/c1-9(2)7-20-12(6-14(19)15(16,17)18)13-5-11(10(3)4)8-21-22-13/h5-6,8-10,21-22H,7,19H2,1-4H3/b14-6-,20-12-
InChIKeyUUVAESCQXUXONA-QDPVGCCXSA-N
XLogP3.02
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine?
The IUPAC name of (Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine (CID 171811521) is (Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine is CC(C)C/N=C(/C=C(\N)C(F)(F)F)C1=CC(C(C)C)=CNN1.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine?
The InChIKey is UUVAESCQXUXONA-QDPVGCCXSA-N. The full InChI is InChI=1S/C15H23F3N4/c1-9(2)7-20-12(6-14(19)15(16,17)18)13-5-11(10(3)4)8-21-22-13/h5-6,8-10,21-22H,7,19H2,1-4H3/b14-6-,20-12-.
What are the key properties of (Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine?
(Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine has a molecular weight of 316.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-(2-methylpropylimino)-4-(5-propan-2-yl-1,2-dihydropyridazin-3-yl)but-2-en-2-amine is sourced from PubChem (CID 171811521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).