2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C10H14F3N5O2 — CID 103221221

IUPAC2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCNc1cnn(CC(=O)NCC(F)(F)F)c(=O)c1
InChIInChI=1S/C10H14F3N5O2/c11-10(12,13)6-16-8(19)5-18-9(20)3-7(4-17-18)15-2-1-14/h3-4,15H,1-2,5-6,14H2,(H,16,19)
InChIKeyGGDTUSUWYGYQAT-UHFFFAOYSA-N
MW293.25 g/mol
LogP-0.71
Rot. Bonds6

About 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103221221) has the molecular formula C10H14F3N5O2 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103221221
Molecular FormulaC10H14F3N5O2
Molecular Weight293.25 g/mol
Exact Mass293.11
IUPAC Name2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCNc1cnn(CC(=O)NCC(F)(F)F)c(=O)c1
InChIInChI=1S/C10H14F3N5O2/c11-10(12,13)6-16-8(19)5-18-9(20)3-7(4-17-18)15-2-1-14/h3-4,15H,1-2,5-6,14H2,(H,16,19)
InChIKeyGGDTUSUWYGYQAT-UHFFFAOYSA-N
XLogP-0.71
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71871010
2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088765
(2R)-2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088829
2-(4-amino-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103218361
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103218675
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219116
2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219530
2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219931
2-[6-oxo-4-(propylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220293
2-[4-(cyclobutylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220641
5-(2-Aminoethylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103221265
5-(2-Aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103221290

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 103221221) is 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is NCCNc1cnn(CC(=O)NCC(F)(F)F)c(=O)c1.
What is the InChIKey of 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GGDTUSUWYGYQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O2/c11-10(12,13)6-16-8(19)5-18-9(20)3-7(4-17-18)15-2-1-14/h3-4,15H,1-2,5-6,14H2,(H,16,19).
What are the key properties of 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 293.25 g/mol, XLogP of -0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103221221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).