N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine

C16H14F3N3O — CID 133433679

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC(c1cc2ccccc2o1)N(C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C16H14F3N3O/c1-10(13-9-11-5-3-4-6-12(11)23-13)22(2)15-8-7-14(20-21-15)16(17,18)19/h3-10H,1-2H3
InChIKeyZWQIVXNWCHGGKM-UHFFFAOYSA-N
MW321.30 g/mol
LogP4.44
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine

N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133433679) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133433679
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC(c1cc2ccccc2o1)N(C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C16H14F3N3O/c1-10(13-9-11-5-3-4-6-12(11)23-13)22(2)15-8-7-14(20-21-15)16(17,18)19/h3-10H,1-2H3
InChIKeyZWQIVXNWCHGGKM-UHFFFAOYSA-N
XLogP4.44
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(1-benzofuran-2-yl)ethyl-methylamino]pyridazine-3-carboxamide
CID 133350776
N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133350806
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133350787
N-[1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 43049478
N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide
CID 46452657
N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 42947496
(1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 94026757
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyltetrazolo[1,5-b]pyridazin-6-amine
CID 71937501
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(trifluoromethoxy)benzamide
CID 46550910
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine
CID 56574292
N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methoxyethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 133335243

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine (CID 133433679) is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine is CC(c1cc2ccccc2o1)N(C)c1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is ZWQIVXNWCHGGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c1-10(13-9-11-5-3-4-6-12(11)23-13)22(2)15-8-7-14(20-21-15)16(17,18)19/h3-10H,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 321.30 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133433679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).