N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide

C12H12FN5O — CID 62248326

IUPACN-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)NCc2ccccc2F)nn1
InChIInChI=1S/C12H12FN5O/c13-9-4-2-1-3-8(9)7-15-12(19)10-5-6-11(16-14)18-17-10/h1-6H,7,14H2,(H,15,19)(H,16,18)
InChIKeyCCOJFIOGMSMCOC-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.83
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide

N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide (PubChem CID 62248326) has the molecular formula C12H12FN5O and a molecular weight of 261.26 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide
PubChem CID62248326
Molecular FormulaC12H12FN5O
Molecular Weight261.26 g/mol
Exact Mass261.10
IUPAC NameN-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)NCc2ccccc2F)nn1
InChIInChI=1S/C12H12FN5O/c13-9-4-2-1-3-8(9)7-15-12(19)10-5-6-11(16-14)18-17-10/h1-6H,7,14H2,(H,15,19)(H,16,18)
InChIKeyCCOJFIOGMSMCOC-UHFFFAOYSA-N
XLogP0.83
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.83
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

6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 62237451
N-[(2-fluorophenyl)methyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109119336
N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109119334
6-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119292
N-[(3,4-difluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62248177
N-(2,6-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62242004
6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119356
N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114812
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-carboxamide
CID 62248324
N-[(2-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62247959
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
6-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridazine-3-carboxamide
CID 106423177

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide (CID 62248326) is N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide is NNc1ccc(C(=O)NCc2ccccc2F)nn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide?
The InChIKey is CCOJFIOGMSMCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O/c13-9-4-2-1-3-8(9)7-15-12(19)10-5-6-11(16-14)18-17-10/h1-6H,7,14H2,(H,15,19)(H,16,18).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-hydrazinylpyridazine-3-carboxamide is sourced from PubChem (CID 62248326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).