(Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine

C15H16ClF2N5O — CID 146311181

IUPAC(Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine
SMILESC/C(N)=C(\COc1ccc(Cl)nn1)N(N)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H16ClF2N5O/c1-9(19)12(8-24-14-7-6-13(16)21-22-14)23(20)11-4-2-10(3-5-11)15(17)18/h2-7,15H,8,19-20H2,1H3/b12-9-
InChIKeyGIPORJJHQULAAJ-XFXZXTDPSA-N
MW355.78 g/mol
LogP3.02
Rot. Bonds6

About (Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine

(Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine (PubChem CID 146311181) has the molecular formula C15H16ClF2N5O and a molecular weight of 355.78 g/mol. Its IUPAC name is (Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine
PubChem CID146311181
Molecular FormulaC15H16ClF2N5O
Molecular Weight355.78 g/mol
Exact Mass355.10
IUPAC Name(Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine
SMILESC/C(N)=C(\COc1ccc(Cl)nn1)N(N)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H16ClF2N5O/c1-9(19)12(8-24-14-7-6-13(16)21-22-14)23(20)11-4-2-10(3-5-11)15(17)18/h2-7,15H,8,19-20H2,1H3/b12-9-
InChIKeyGIPORJJHQULAAJ-XFXZXTDPSA-N
XLogP3.02
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine?
The IUPAC name of (Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine (CID 146311181) is (Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine.
What is the SMILES notation for (Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine?
The canonical SMILES for (Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine is C/C(N)=C(\COc1ccc(Cl)nn1)N(N)c1ccc(C(F)F)cc1.
What is the InChIKey of (Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine?
The InChIKey is GIPORJJHQULAAJ-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H16ClF2N5O/c1-9(19)12(8-24-14-7-6-13(16)21-22-14)23(20)11-4-2-10(3-5-11)15(17)18/h2-7,15H,8,19-20H2,1H3/b12-9-.
What are the key properties of (Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine?
(Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine has a molecular weight of 355.78 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[N-amino-4-(difluoromethyl)anilino]-4-(6-chloropyridazin-3-yl)oxybut-2-en-2-amine is sourced from PubChem (CID 146311181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).