6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine

C17H22FN3 — CID 134391576

IUPAC6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine
SMILESCCc1nnc(NCc2c(C)cc(F)cc2C)c(C)c1C
InChIInChI=1S/C17H22FN3/c1-6-16-12(4)13(5)17(21-20-16)19-9-15-10(2)7-14(18)8-11(15)3/h7-8H,6,9H2,1-5H3,(H,19,21)
InChIKeyPOGJNAMPCCMQBK-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.02
Rot. Bonds4

About 6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine

6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine (PubChem CID 134391576) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine
PubChem CID134391576
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine
SMILESCCc1nnc(NCc2c(C)cc(F)cc2C)c(C)c1C
InChIInChI=1S/C17H22FN3/c1-6-16-12(4)13(5)17(21-20-16)19-9-15-10(2)7-14(18)8-11(15)3/h7-8H,6,9H2,1-5H3,(H,19,21)
InChIKeyPOGJNAMPCCMQBK-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine (CID 134391576) is 6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine is CCc1nnc(NCc2c(C)cc(F)cc2C)c(C)c1C.
What is the InChIKey of 6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine?
The InChIKey is POGJNAMPCCMQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-6-16-12(4)13(5)17(21-20-16)19-9-15-10(2)7-14(18)8-11(15)3/h7-8H,6,9H2,1-5H3,(H,19,21).
What are the key properties of 6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine?
6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine has a molecular weight of 287.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(4-fluoro-2,6-dimethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 134391576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).