N-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

C9H11ClF3N3 — CID 104513769

IUPACN-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1ccc(Cl)nn1
InChIInChI=1S/C9H11ClF3N3/c1-16(5-4-9(11,12)13)6-7-2-3-8(10)15-14-7/h2-3H,4-6H2,1H3
InChIKeyHUERVFFCEMFKFX-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.51
Rot. Bonds4

About N-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

N-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 104513769) has the molecular formula C9H11ClF3N3 and a molecular weight of 253.65 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID104513769
Molecular FormulaC9H11ClF3N3
Molecular Weight253.65 g/mol
Exact Mass253.06
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1ccc(Cl)nn1
InChIInChI=1S/C9H11ClF3N3/c1-16(5-4-9(11,12)13)6-7-2-3-8(10)15-14-7/h2-3H,4-6H2,1H3
InChIKeyHUERVFFCEMFKFX-UHFFFAOYSA-N
XLogP2.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (CID 104513769) is N-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is CN(CCC(F)(F)F)Cc1ccc(Cl)nn1.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is HUERVFFCEMFKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3/c1-16(5-4-9(11,12)13)6-7-2-3-8(10)15-14-7/h2-3H,4-6H2,1H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
N-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 253.65 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 104513769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).