6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine

C20H17FN6 — CID 133365404

IUPAC6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine
SMILESCC(Nc1ccc(-c2ccc(F)cc2)nn1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C20H17FN6/c1-14(19-13-27(26-24-19)17-5-3-2-4-6-17)22-20-12-11-18(23-25-20)15-7-9-16(21)10-8-15/h2-14H,1H3,(H,22,25)
InChIKeyNNIBKQGPKCRHIH-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.04
Rot. Bonds5

About 6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine

6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine (PubChem CID 133365404) has the molecular formula C20H17FN6 and a molecular weight of 360.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine
PubChem CID133365404
Molecular FormulaC20H17FN6
Molecular Weight360.40 g/mol
Exact Mass360.15
IUPAC Name6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine
SMILESCC(Nc1ccc(-c2ccc(F)cc2)nn1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C20H17FN6/c1-14(19-13-27(26-24-19)17-5-3-2-4-6-17)22-20-12-11-18(23-25-20)15-7-9-16(21)10-8-15/h2-14H,1H3,(H,22,25)
InChIKeyNNIBKQGPKCRHIH-UHFFFAOYSA-N
XLogP4.04
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine (CID 133365404) is 6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine is CC(Nc1ccc(-c2ccc(F)cc2)nn1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine?
The InChIKey is NNIBKQGPKCRHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6/c1-14(19-13-27(26-24-19)17-5-3-2-4-6-17)22-20-12-11-18(23-25-20)15-7-9-16(21)10-8-15/h2-14H,1H3,(H,22,25).
What are the key properties of 6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine?
6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine has a molecular weight of 360.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[1-(1-phenyltriazol-4-yl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 133365404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).