(1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine

C11H14F3N3 — CID 163383022

IUPAC(1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine
SMILESC[C@@H](NCc1ccc(C(F)(F)F)nn1)C1CC1
InChIInChI=1S/C11H14F3N3/c1-7(8-2-3-8)15-6-9-4-5-10(17-16-9)11(12,13)14/h4-5,7-8,15H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyKFXNTRQEBGPIJM-SSDOTTSWSA-N
MW245.25 g/mol
LogP2.38
Rot. Bonds4

About (1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine

(1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine (PubChem CID 163383022) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine
PubChem CID163383022
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name(1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine
SMILESC[C@@H](NCc1ccc(C(F)(F)F)nn1)C1CC1
InChIInChI=1S/C11H14F3N3/c1-7(8-2-3-8)15-6-9-4-5-10(17-16-9)11(12,13)14/h4-5,7-8,15H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyKFXNTRQEBGPIJM-SSDOTTSWSA-N
XLogP2.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-Difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine
CID 18187498
N'-[(6-fluoropyridazin-3-yl)methyl]ethane-1,2-diamine
CID 21698027
2-[[6-(Trifluoromethyl)pyridazin-3-yl]methylamino]ethanethiol
CID 21698269
N'-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethane-1,2-diamine
CID 21698478
(R)-1-(6-(Trifluoromethyl)pyridazin-3-yl)ethanamine hydrochloride
CID 121397171
(1R)-1-[6-(Trifluoromethyl)pyridazin-3-yl]ethanamine
CID 121397172
4-[2-[6-Methyl-4-(trifluoromethyl)pyridazin-3-yl]ethyl]-3-azabicyclo[4.1.0]heptane
CID 123295532
(1R,4R,6R)-4-[2-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethyl]-3-azabicyclo[4.1.0]heptane
CID 123667248
5-(6-Fluoropyridazin-3-yl)pyrrolidin-3-amine
CID 129188399
N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclopropanamine
CID 132175517
3-(Pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine
CID 135135396
(1R)-1-(6-(trifluoromethyl)-5,6-dihydropyridazin-3-yl)ethan-1-aminehydrochloride
CID 138110357

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine (CID 163383022) is (1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine is C[C@@H](NCc1ccc(C(F)(F)F)nn1)C1CC1.
What is the InChIKey of (1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine?
The InChIKey is KFXNTRQEBGPIJM-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-7(8-2-3-8)15-6-9-4-5-10(17-16-9)11(12,13)14/h4-5,7-8,15H,2-3,6H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine?
(1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine has a molecular weight of 245.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 163383022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).