N-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide

C9H12F2N4O2 — CID 114041040

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESNCCN(CC(F)F)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H12F2N4O2/c10-7(11)5-15(4-3-12)9(17)6-1-2-8(16)14-13-6/h1-2,7H,3-5,12H2,(H,14,16)
InChIKeySCUXBCLRABCRSG-UHFFFAOYSA-N
MW246.22 g/mol
LogP-0.56
Rot. Bonds5

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 114041040) has the molecular formula C9H12F2N4O2 and a molecular weight of 246.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID114041040
Molecular FormulaC9H12F2N4O2
Molecular Weight246.22 g/mol
Exact Mass246.09
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESNCCN(CC(F)F)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H12F2N4O2/c10-7(11)5-15(4-3-12)9(17)6-1-2-8(16)14-13-6/h1-2,7H,3-5,12H2,(H,14,16)
InChIKeySCUXBCLRABCRSG-UHFFFAOYSA-N
XLogP-0.56
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 114041040) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide is NCCN(CC(F)F)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is SCUXBCLRABCRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O2/c10-7(11)5-15(4-3-12)9(17)6-1-2-8(16)14-13-6/h1-2,7H,3-5,12H2,(H,14,16).
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 246.22 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 114041040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).