6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine

C19H25FN6 — CID 142791172

IUPAC6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine
SMILESCCN1CN(N)C=C1c1ccc(NCC(C)(C)c2ccc(F)cc2)nn1
InChIInChI=1S/C19H25FN6/c1-4-25-13-26(21)11-17(25)16-9-10-18(24-23-16)22-12-19(2,3)14-5-7-15(20)8-6-14/h5-11H,4,12-13,21H2,1-3H3,(H,22,24)
InChIKeyCYHGTMBTJUAJMU-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.77
Rot. Bonds6

About 6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine

6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine (PubChem CID 142791172) has the molecular formula C19H25FN6 and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine
PubChem CID142791172
Molecular FormulaC19H25FN6
Molecular Weight356.45 g/mol
Exact Mass356.21
IUPAC Name6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine
SMILESCCN1CN(N)C=C1c1ccc(NCC(C)(C)c2ccc(F)cc2)nn1
InChIInChI=1S/C19H25FN6/c1-4-25-13-26(21)11-17(25)16-9-10-18(24-23-16)22-12-19(2,3)14-5-7-15(20)8-6-14/h5-11H,4,12-13,21H2,1-3H3,(H,22,24)
InChIKeyCYHGTMBTJUAJMU-UHFFFAOYSA-N
XLogP2.77
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine?
The IUPAC name of 6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine (CID 142791172) is 6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine.
What is the SMILES notation for 6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine?
The canonical SMILES for 6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine is CCN1CN(N)C=C1c1ccc(NCC(C)(C)c2ccc(F)cc2)nn1.
What is the InChIKey of 6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine?
The InChIKey is CYHGTMBTJUAJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6/c1-4-25-13-26(21)11-17(25)16-9-10-18(24-23-16)22-12-19(2,3)14-5-7-15(20)8-6-14/h5-11H,4,12-13,21H2,1-3H3,(H,22,24).
What are the key properties of 6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine?
6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine has a molecular weight of 356.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine is sourced from PubChem (CID 142791172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).