N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide

C11H16F3N5O — CID 122320882

IUPACN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide
SMILESCN(C)c1cnnc(NCCNC(=O)CC(F)(F)F)c1
InChIInChI=1S/C11H16F3N5O/c1-19(2)8-5-9(18-17-7-8)15-3-4-16-10(20)6-11(12,13)14/h5,7H,3-4,6H2,1-2H3,(H,15,18)(H,16,20)
InChIKeySVVGZQTWSOOWSB-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.02
Rot. Bonds6

About N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide

N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide (PubChem CID 122320882) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide
PubChem CID122320882
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide
SMILESCN(C)c1cnnc(NCCNC(=O)CC(F)(F)F)c1
InChIInChI=1S/C11H16F3N5O/c1-19(2)8-5-9(18-17-7-8)15-3-4-16-10(20)6-11(12,13)14/h5,7H,3-4,6H2,1-2H3,(H,15,18)(H,16,20)
InChIKeySVVGZQTWSOOWSB-UHFFFAOYSA-N
XLogP1.02
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide (CID 122320882) is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide is CN(C)c1cnnc(NCCNC(=O)CC(F)(F)F)c1.
What is the InChIKey of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide?
The InChIKey is SVVGZQTWSOOWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-19(2)8-5-9(18-17-7-8)15-3-4-16-10(20)6-11(12,13)14/h5,7H,3-4,6H2,1-2H3,(H,15,18)(H,16,20).
What are the key properties of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide?
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide has a molecular weight of 291.28 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 122320882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).