1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine

C14H17FN4 — CID 143994958

IUPAC1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine
SMILESCc1c(-c2ccc(F)cc2)nnc(C(N)CN)c1C
InChIInChI=1S/C14H17FN4/c1-8-9(2)14(12(17)7-16)19-18-13(8)10-3-5-11(15)6-4-10/h3-6,12H,7,16-17H2,1-2H3
InChIKeyBOGIAJIKCCJIRU-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.86
Rot. Bonds3

About 1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine

1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine (PubChem CID 143994958) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine
PubChem CID143994958
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine
SMILESCc1c(-c2ccc(F)cc2)nnc(C(N)CN)c1C
InChIInChI=1S/C14H17FN4/c1-8-9(2)14(12(17)7-16)19-18-13(8)10-3-5-11(15)6-4-10/h3-6,12H,7,16-17H2,1-2H3
InChIKeyBOGIAJIKCCJIRU-UHFFFAOYSA-N
XLogP1.86
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine?
The IUPAC name of 1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine (CID 143994958) is 1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine?
The canonical SMILES for 1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine is Cc1c(-c2ccc(F)cc2)nnc(C(N)CN)c1C.
What is the InChIKey of 1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine?
The InChIKey is BOGIAJIKCCJIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-8-9(2)14(12(17)7-16)19-18-13(8)10-3-5-11(15)6-4-10/h3-6,12H,7,16-17H2,1-2H3.
What are the key properties of 1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine?
1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine has a molecular weight of 260.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 143994958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).