6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine

C16H17FN6 — CID 133325228

IUPAC6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine
SMILESFc1ccc(-c2ccc(NCCCCn3cnnc3)nn2)cc1
InChIInChI=1S/C16H17FN6/c17-14-5-3-13(4-6-14)15-7-8-16(22-21-15)18-9-1-2-10-23-11-19-20-12-23/h3-8,11-12H,1-2,9-10H2,(H,18,22)
InChIKeyNDHFVOQUBYNACY-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.77
Rot. Bonds7

About 6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine

6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine (PubChem CID 133325228) has the molecular formula C16H17FN6 and a molecular weight of 312.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine
PubChem CID133325228
Molecular FormulaC16H17FN6
Molecular Weight312.35 g/mol
Exact Mass312.15
IUPAC Name6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine
SMILESFc1ccc(-c2ccc(NCCCCn3cnnc3)nn2)cc1
InChIInChI=1S/C16H17FN6/c17-14-5-3-13(4-6-14)15-7-8-16(22-21-15)18-9-1-2-10-23-11-19-20-12-23/h3-8,11-12H,1-2,9-10H2,(H,18,22)
InChIKeyNDHFVOQUBYNACY-UHFFFAOYSA-N
XLogP2.77
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine (CID 133325228) is 6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine is Fc1ccc(-c2ccc(NCCCCn3cnnc3)nn2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine?
The InChIKey is NDHFVOQUBYNACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6/c17-14-5-3-13(4-6-14)15-7-8-16(22-21-15)18-9-1-2-10-23-11-19-20-12-23/h3-8,11-12H,1-2,9-10H2,(H,18,22).
What are the key properties of 6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine?
6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine has a molecular weight of 312.35 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[4-(1,2,4-triazol-4-yl)butyl]pyridazin-3-amine is sourced from PubChem (CID 133325228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).