6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine

C17H14ClFN4 — CID 167812518

IUPAC6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine
SMILESFc1cnccc1CCNc1ccc(-c2ccccc2Cl)nn1
InChIInChI=1S/C17H14ClFN4/c18-14-4-2-1-3-13(14)16-5-6-17(23-22-16)21-10-8-12-7-9-20-11-15(12)19/h1-7,9,11H,8,10H2,(H,21,23)
InChIKeyPRMKQNSYNHKHHU-UHFFFAOYSA-N
MW328.78 g/mol
LogP3.99
Rot. Bonds5

About 6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine

6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine (PubChem CID 167812518) has the molecular formula C17H14ClFN4 and a molecular weight of 328.78 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine
PubChem CID167812518
Molecular FormulaC17H14ClFN4
Molecular Weight328.78 g/mol
Exact Mass328.09
IUPAC Name6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine
SMILESFc1cnccc1CCNc1ccc(-c2ccccc2Cl)nn1
InChIInChI=1S/C17H14ClFN4/c18-14-4-2-1-3-13(14)16-5-6-17(23-22-16)21-10-8-12-7-9-20-11-15(12)19/h1-7,9,11H,8,10H2,(H,21,23)
InChIKeyPRMKQNSYNHKHHU-UHFFFAOYSA-N
XLogP3.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine (CID 167812518) is 6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine is Fc1cnccc1CCNc1ccc(-c2ccccc2Cl)nn1.
What is the InChIKey of 6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine?
The InChIKey is PRMKQNSYNHKHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4/c18-14-4-2-1-3-13(14)16-5-6-17(23-22-16)21-10-8-12-7-9-20-11-15(12)19/h1-7,9,11H,8,10H2,(H,21,23).
What are the key properties of 6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine?
6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine has a molecular weight of 328.78 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-[2-(3-fluoro-4-pyridinyl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 167812518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).