N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine

C12H16F3N3O — CID 103847022

IUPACN-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCCCOCC2CC2)nn1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-4-5-11(18-17-10)16-6-1-7-19-8-9-2-3-9/h4-5,9H,1-3,6-8H2,(H,16,18)
InChIKeyVZZYWXLXIGCTKQ-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.72
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 103847022) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID103847022
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCCCOCC2CC2)nn1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-4-5-11(18-17-10)16-6-1-7-19-8-9-2-3-9/h4-5,9H,1-3,6-8H2,(H,16,18)
InChIKeyVZZYWXLXIGCTKQ-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol
CID 106842692
2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol
CID 133421323
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103952486
5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol
CID 107269138
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 104973215
N-[3-(cyclopropylmethoxy)propyl]-4-methylpyridin-2-amine
CID 103761404
N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine
CID 115978081
N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 113344350
N-[3-(cyclopropylmethoxy)propyl]-5-fluoro-2-nitroaniline
CID 107302309
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 126917112
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine
CID 103764632
N-[3-(cyclopropylmethoxy)propyl]-4-methylphthalazin-1-amine
CID 103603387

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 103847022) is N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1ccc(NCCCOCC2CC2)nn1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is VZZYWXLXIGCTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)10-4-5-11(18-17-10)16-6-1-7-19-8-9-2-3-9/h4-5,9H,1-3,6-8H2,(H,16,18).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 275.27 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 103847022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).