4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide

C12H12FN5O — CID 167062256

IUPAC4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(-c2c(C)cccc2F)c(=O)cc1N
InChIInChI=1S/C12H12FN5O/c1-6-3-2-4-7(13)11(6)18-9(19)5-8(14)10(17-18)12(15)16/h2-5H,14H2,1H3,(H3,15,16)
InChIKeyZQFLAOKLZVLDJB-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.55
Rot. Bonds2

About 4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide

4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide (PubChem CID 167062256) has the molecular formula C12H12FN5O and a molecular weight of 261.26 g/mol. Its IUPAC name is 4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide.

Molecular Properties

Compound Name4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide
PubChem CID167062256
Molecular FormulaC12H12FN5O
Molecular Weight261.26 g/mol
Exact Mass261.10
IUPAC Name4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(-c2c(C)cccc2F)c(=O)cc1N
InChIInChI=1S/C12H12FN5O/c1-6-3-2-4-7(13)11(6)18-9(19)5-8(14)10(17-18)12(15)16/h2-5H,14H2,1H3,(H3,15,16)
InChIKeyZQFLAOKLZVLDJB-UHFFFAOYSA-N
XLogP0.55
TPSA110.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide?
The IUPAC name of 4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide (CID 167062256) is 4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide.
What is the SMILES notation for 4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide?
The canonical SMILES for 4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide is [H]/N=C(\N)c1nn(-c2c(C)cccc2F)c(=O)cc1N.
What is the InChIKey of 4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide?
The InChIKey is ZQFLAOKLZVLDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O/c1-6-3-2-4-7(13)11(6)18-9(19)5-8(14)10(17-18)12(15)16/h2-5H,14H2,1H3,(H3,15,16).
What are the key properties of 4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide?
4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide has a molecular weight of 261.26 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide is sourced from PubChem (CID 167062256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).