6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine

C14H15ClFN3 — CID 86686125

IUPAC6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine
SMILESCC(C)(CNc1ccc(Cl)nn1)c1ccc(F)cc1
InChIInChI=1S/C14H15ClFN3/c1-14(2,10-3-5-11(16)6-4-10)9-17-13-8-7-12(15)18-19-13/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyKTHVNDNYOHUVAF-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.66
Rot. Bonds4

About 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine

6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine (PubChem CID 86686125) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine
PubChem CID86686125
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine
SMILESCC(C)(CNc1ccc(Cl)nn1)c1ccc(F)cc1
InChIInChI=1S/C14H15ClFN3/c1-14(2,10-3-5-11(16)6-4-10)9-17-13-8-7-12(15)18-19-13/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyKTHVNDNYOHUVAF-UHFFFAOYSA-N
XLogP3.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine (CID 86686125) is 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine is CC(C)(CNc1ccc(Cl)nn1)c1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine?
The InChIKey is KTHVNDNYOHUVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-14(2,10-3-5-11(16)6-4-10)9-17-13-8-7-12(15)18-19-13/h3-8H,9H2,1-2H3,(H,17,19).
What are the key properties of 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine?
6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine has a molecular weight of 279.75 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine is sourced from PubChem (CID 86686125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).