6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine

C15H17ClFN3 — CID 86686132

IUPAC6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine
SMILESCc1cc(NCC(C)(C)c2ccc(F)cc2)nnc1Cl
InChIInChI=1S/C15H17ClFN3/c1-10-8-13(19-20-14(10)16)18-9-15(2,3)11-4-6-12(17)7-5-11/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyOLYQDBSTNCTCJF-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.97
Rot. Bonds4

About 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine

6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine (PubChem CID 86686132) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine
PubChem CID86686132
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine
SMILESCc1cc(NCC(C)(C)c2ccc(F)cc2)nnc1Cl
InChIInChI=1S/C15H17ClFN3/c1-10-8-13(19-20-14(10)16)18-9-15(2,3)11-4-6-12(17)7-5-11/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyOLYQDBSTNCTCJF-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.97
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]-5-methylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine (CID 86686132) is 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine is Cc1cc(NCC(C)(C)c2ccc(F)cc2)nnc1Cl.
What is the InChIKey of 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine?
The InChIKey is OLYQDBSTNCTCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-10-8-13(19-20-14(10)16)18-9-15(2,3)11-4-6-12(17)7-5-11/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of 6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine?
6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine has a molecular weight of 293.77 g/mol, XLogP of 3.97, 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]-5-methylpyridazin-3-amine is sourced from PubChem (CID 86686132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).