6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C12H19F3N4 — CID 62282477

IUPAC6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCNCc1ccc(N(CC(F)(F)F)C(C)C)nn1
InChIInChI=1S/C12H19F3N4/c1-4-16-7-10-5-6-11(18-17-10)19(9(2)3)8-12(13,14)15/h5-6,9,16H,4,7-8H2,1-3H3
InChIKeyUDVRXKONVNKERM-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.36
Rot. Bonds6

About 6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 62282477) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID62282477
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCNCc1ccc(N(CC(F)(F)F)C(C)C)nn1
InChIInChI=1S/C12H19F3N4/c1-4-16-7-10-5-6-11(18-17-10)19(9(2)3)8-12(13,14)15/h5-6,9,16H,4,7-8H2,1-3H3
InChIKeyUDVRXKONVNKERM-UHFFFAOYSA-N
XLogP2.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 62282476
N-ethyl-6-(ethylaminomethyl)-N-propan-2-ylpyridazin-3-amine
CID 62280228
6-(ethylaminomethyl)-N-pentyl-N-propan-2-ylpyridazin-3-amine
CID 62294532
6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
CID 66457825
N,N-diethyl-6-(ethylaminomethyl)pyridazin-3-amine
CID 62286106
N-methyl-6-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 55059729
6-(ethylaminomethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridazin-3-amine
CID 62289229
5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282303
6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
CID 80638531
N-(2-methoxyethyl)-N-propan-2-yl-6-(propylaminomethyl)pyridazin-3-amine
CID 82953348
N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 62284048
N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
CID 62278695

Frequently Asked Questions

What is the IUPAC name of 6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 62282477) is 6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is CCNCc1ccc(N(CC(F)(F)F)C(C)C)nn1.
What is the InChIKey of 6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is UDVRXKONVNKERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-4-16-7-10-5-6-11(18-17-10)19(9(2)3)8-12(13,14)15/h5-6,9,16H,4,7-8H2,1-3H3.
What are the key properties of 6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 276.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 62282477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).