6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine

C9H12F3N3O — CID 63828976

IUPAC6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine
SMILESCc1ccc(NCCOCC(F)(F)F)nn1
InChIInChI=1S/C9H12F3N3O/c1-7-2-3-8(15-14-7)13-4-5-16-6-9(10,11)12/h2-3H,4-6H2,1H3,(H,13,15)
InChIKeyCDNQHALAABKNRT-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.78
Rot. Bonds5

About 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine

6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine (PubChem CID 63828976) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine
PubChem CID63828976
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine
SMILESCc1ccc(NCCOCC(F)(F)F)nn1
InChIInChI=1S/C9H12F3N3O/c1-7-2-3-8(15-14-7)13-4-5-16-6-9(10,11)12/h2-3H,4-6H2,1H3,(H,13,15)
InChIKeyCDNQHALAABKNRT-UHFFFAOYSA-N
XLogP1.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.78
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

5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 63827023
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492510
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492242
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103952486
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 55259536
2-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80846493
N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide
CID 78956359
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
CID 83064425
2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54962118
N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 50947431
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54962007
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine
CID 54962267

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine?
The IUPAC name of 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine (CID 63828976) is 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine is Cc1ccc(NCCOCC(F)(F)F)nn1.
What is the InChIKey of 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine?
The InChIKey is CDNQHALAABKNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-7-2-3-8(15-14-7)13-4-5-16-6-9(10,11)12/h2-3H,4-6H2,1H3,(H,13,15).
What are the key properties of 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine?
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine has a molecular weight of 235.21 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine is sourced from PubChem (CID 63828976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).