6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine

C15H17ClFN3 — CID 115504536

IUPAC6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine
SMILESCCCNc1nnc(-c2ccc(F)c(Cl)c2)c(C)c1C
InChIInChI=1S/C15H17ClFN3/c1-4-7-18-15-10(3)9(2)14(19-20-15)11-5-6-13(17)12(16)8-11/h5-6,8H,4,7H2,1-3H3,(H,18,20)
InChIKeyKLGVDPPRODIASQ-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.37
Rot. Bonds4

About 6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine

6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine (PubChem CID 115504536) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine
PubChem CID115504536
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine
SMILESCCCNc1nnc(-c2ccc(F)c(Cl)c2)c(C)c1C
InChIInChI=1S/C15H17ClFN3/c1-4-7-18-15-10(3)9(2)14(19-20-15)11-5-6-13(17)12(16)8-11/h5-6,8H,4,7H2,1-3H3,(H,18,20)
InChIKeyKLGVDPPRODIASQ-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine (CID 115504536) is 6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine is CCCNc1nnc(-c2ccc(F)c(Cl)c2)c(C)c1C.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine?
The InChIKey is KLGVDPPRODIASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-4-7-18-15-10(3)9(2)14(19-20-15)11-5-6-13(17)12(16)8-11/h5-6,8H,4,7H2,1-3H3,(H,18,20).
What are the key properties of 6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine?
6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine has a molecular weight of 293.77 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine is sourced from PubChem (CID 115504536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).