N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine

C13H14F3N5 — CID 86814391

IUPACN-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCN(C)c1cccc(CNc2ccc(C(F)(F)F)nn2)n1
InChIInChI=1S/C13H14F3N5/c1-21(2)12-5-3-4-9(18-12)8-17-11-7-6-10(19-20-11)13(14,15)16/h3-7H,8H2,1-2H3,(H,17,20)
InChIKeyORFSOETYAITZBJ-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.57
Rot. Bonds4

About N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 86814391) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID86814391
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC NameN-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCN(C)c1cccc(CNc2ccc(C(F)(F)F)nn2)n1
InChIInChI=1S/C13H14F3N5/c1-21(2)12-5-3-4-9(18-12)8-17-11-7-6-10(19-20-11)13(14,15)16/h3-7H,8H2,1-2H3,(H,17,20)
InChIKeyORFSOETYAITZBJ-UHFFFAOYSA-N
XLogP2.57
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 86814391) is N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine is CN(C)c1cccc(CNc2ccc(C(F)(F)F)nn2)n1.
What is the InChIKey of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is ORFSOETYAITZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c1-21(2)12-5-3-4-9(18-12)8-17-11-7-6-10(19-20-11)13(14,15)16/h3-7H,8H2,1-2H3,(H,17,20).
What are the key properties of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 297.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 86814391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).