N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine

C10H14F3N3 — CID 163382810

IUPACN-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3/c1-3-7(2)14-6-8-4-5-9(16-15-8)10(11,12)13/h4-5,7,14H,3,6H2,1-2H3
InChIKeyPXIDVVNBJWKFMY-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.38
Rot. Bonds4

About N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine

N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine (PubChem CID 163382810) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine
PubChem CID163382810
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC NameN-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3/c1-3-7(2)14-6-8-4-5-9(16-15-8)10(11,12)13/h4-5,7,14H,3,6H2,1-2H3
InChIKeyPXIDVVNBJWKFMY-UHFFFAOYSA-N
XLogP2.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine?
The IUPAC name of N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine (CID 163382810) is N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine is CCC(C)NCc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine?
The InChIKey is PXIDVVNBJWKFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-3-7(2)14-6-8-4-5-9(16-15-8)10(11,12)13/h4-5,7,14H,3,6H2,1-2H3.
What are the key properties of N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine?
N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine has a molecular weight of 233.24 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 N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]butan-2-amine is sourced from PubChem (CID 163382810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).