1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine

C15H19F3N6 — CID 56778224

IUPAC1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
SMILESFC(F)(F)Cn1ccnc1CNCC1CCCN1c1cccnn1
InChIInChI=1S/C15H19F3N6/c16-15(17,18)11-23-8-6-20-14(23)10-19-9-12-3-2-7-24(12)13-4-1-5-21-22-13/h1,4-6,8,12,19H,2-3,7,9-11H2
InChIKeyXFNACIXHJMKTDF-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.99
Rot. Bonds6

About 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine

1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine (PubChem CID 56778224) has the molecular formula C15H19F3N6 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
PubChem CID56778224
Molecular FormulaC15H19F3N6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC Name1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
SMILESFC(F)(F)Cn1ccnc1CNCC1CCCN1c1cccnn1
InChIInChI=1S/C15H19F3N6/c16-15(17,18)11-23-8-6-20-14(23)10-19-9-12-3-2-7-24(12)13-4-1-5-21-22-13/h1,4-6,8,12,19H,2-3,7,9-11H2
InChIKeyXFNACIXHJMKTDF-UHFFFAOYSA-N
XLogP1.99
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
The IUPAC name of 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine (CID 56778224) is 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine is FC(F)(F)Cn1ccnc1CNCC1CCCN1c1cccnn1.
What is the InChIKey of 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
The InChIKey is XFNACIXHJMKTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6/c16-15(17,18)11-23-8-6-20-14(23)10-19-9-12-3-2-7-24(12)13-4-1-5-21-22-13/h1,4-6,8,12,19H,2-3,7,9-11H2.
What are the key properties of 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine has a molecular weight of 340.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine is sourced from PubChem (CID 56778224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).