N-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide

C12H11F2N5O — CID 62248177

IUPACN-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)NCc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C12H11F2N5O/c13-8-2-1-7(5-9(8)14)6-16-12(20)10-3-4-11(17-15)19-18-10/h1-5H,6,15H2,(H,16,20)(H,17,19)
InChIKeyQUBUKQKAAZEIRK-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.97
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide (PubChem CID 62248177) has the molecular formula C12H11F2N5O and a molecular weight of 279.25 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide
PubChem CID62248177
Molecular FormulaC12H11F2N5O
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)NCc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C12H11F2N5O/c13-8-2-1-7(5-9(8)14)6-16-12(20)10-3-4-11(17-15)19-18-10/h1-5H,6,15H2,(H,16,20)(H,17,19)
InChIKeyQUBUKQKAAZEIRK-UHFFFAOYSA-N
XLogP0.97
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62248326
6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide
CID 106423177
5-carbamothioyl-N-[(3,4-difluorophenyl)methyl]pyridine-2-carboxamide
CID 63749197
N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661139
6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazine-3-carboxamide
CID 62248075
N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323547
6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 62237451
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109119919
N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62533307
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridazine-3-carboxamide
CID 106897771
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824244

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide (CID 62248177) is N-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide is NNc1ccc(C(=O)NCc2ccc(F)c(F)c2)nn1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide?
The InChIKey is QUBUKQKAAZEIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5O/c13-8-2-1-7(5-9(8)14)6-16-12(20)10-3-4-11(17-15)19-18-10/h1-5H,6,15H2,(H,16,20)(H,17,19).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide has a molecular weight of 279.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide is sourced from PubChem (CID 62248177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).