6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine

C16H16FN5 — CID 71871445

IUPAC6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(F)c2)nnc1NCc1cnn(C)c1
InChIInChI=1S/C16H16FN5/c1-11-6-15(13-4-3-5-14(17)7-13)20-21-16(11)18-8-12-9-19-22(2)10-12/h3-7,9-10H,8H2,1-2H3,(H,18,21)
InChIKeyMPYFSJIPFJKLNG-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.94
Rot. Bonds4

About 6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine

6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine (PubChem CID 71871445) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine
PubChem CID71871445
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(F)c2)nnc1NCc1cnn(C)c1
InChIInChI=1S/C16H16FN5/c1-11-6-15(13-4-3-5-14(17)7-13)20-21-16(11)18-8-12-9-19-22(2)10-12/h3-7,9-10H,8H2,1-2H3,(H,18,21)
InChIKeyMPYFSJIPFJKLNG-UHFFFAOYSA-N
XLogP2.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine?
The IUPAC name of 6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine (CID 71871445) is 6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine is Cc1cc(-c2cccc(F)c2)nnc1NCc1cnn(C)c1.
What is the InChIKey of 6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine?
The InChIKey is MPYFSJIPFJKLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-11-6-15(13-4-3-5-14(17)7-13)20-21-16(11)18-8-12-9-19-22(2)10-12/h3-7,9-10H,8H2,1-2H3,(H,18,21).
What are the key properties of 6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine?
6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine has a molecular weight of 297.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 71871445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).