N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide

C13H14FN5O — CID 62247886

IUPACN-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(NN)nn1)c1cccc(F)c1
InChIInChI=1S/C13H14FN5O/c1-8(9-3-2-4-10(14)7-9)16-13(20)11-5-6-12(17-15)19-18-11/h2-8H,15H2,1H3,(H,16,20)(H,17,19)
InChIKeyOFKSWNZZJLAING-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.39
Rot. Bonds4

About N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide

N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide (PubChem CID 62247886) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide
PubChem CID62247886
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(NN)nn1)c1cccc(F)c1
InChIInChI=1S/C13H14FN5O/c1-8(9-3-2-4-10(14)7-9)16-13(20)11-5-6-12(17-15)19-18-11/h2-8H,15H2,1H3,(H,16,20)(H,17,19)
InChIKeyOFKSWNZZJLAING-UHFFFAOYSA-N
XLogP1.39
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.39
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

5-amino-N-[1-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 81317430
N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide
CID 62242878
6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109755
N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334811
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 62241752
5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 107236590
N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
CID 103601942
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 115540519

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide (CID 62247886) is N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide is CC(NC(=O)c1ccc(NN)nn1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide?
The InChIKey is OFKSWNZZJLAING-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O/c1-8(9-3-2-4-10(14)7-9)16-13(20)11-5-6-12(17-15)19-18-11/h2-8H,15H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide?
N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide has a molecular weight of 275.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridazine-3-carboxamide is sourced from PubChem (CID 62247886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).