1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

C10H10F2N4O3 — CID 43563749

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(Cc2nccn2C(F)F)C(=O)CC1
InChIInChI=1S/C10H10F2N4O3/c11-10(12)15-4-3-13-7(15)5-16-8(17)2-1-6(14-16)9(18)19/h3-4,10H,1-2,5H2,(H,18,19)
InChIKeyCBFVPNFAYUJPDB-UHFFFAOYSA-N
MW272.21 g/mol
LogP0.84
Rot. Bonds4

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 43563749) has the molecular formula C10H10F2N4O3 and a molecular weight of 272.21 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID43563749
Molecular FormulaC10H10F2N4O3
Molecular Weight272.21 g/mol
Exact Mass272.07
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(Cc2nccn2C(F)F)C(=O)CC1
InChIInChI=1S/C10H10F2N4O3/c11-10(12)15-4-3-13-7(15)5-16-8(17)2-1-6(14-16)9(18)19/h3-4,10H,1-2,5H2,(H,18,19)
InChIKeyCBFVPNFAYUJPDB-UHFFFAOYSA-N
XLogP0.84
TPSA87.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 43563749) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is O=C(O)C1=NN(Cc2nccn2C(F)F)C(=O)CC1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is CBFVPNFAYUJPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O3/c11-10(12)15-4-3-13-7(15)5-16-8(17)2-1-6(14-16)9(18)19/h3-4,10H,1-2,5H2,(H,18,19).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 272.21 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 43563749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).