2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid

C10H14FN3O3 — CID 114394094

IUPAC2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid
SMILESCCCN(C)c1cnn(C(F)C(=O)O)c(=O)c1
InChIInChI=1S/C10H14FN3O3/c1-3-4-13(2)7-5-8(15)14(12-6-7)9(11)10(16)17/h5-6,9H,3-4H2,1-2H3,(H,16,17)
InChIKeyLEJFYUKPAYFNEB-UHFFFAOYSA-N
MW243.24 g/mol
LogP0.64
Rot. Bonds5

About 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid

2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid (PubChem CID 114394094) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid
PubChem CID114394094
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Name2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid
SMILESCCCN(C)c1cnn(C(F)C(=O)O)c(=O)c1
InChIInChI=1S/C10H14FN3O3/c1-3-4-13(2)7-5-8(15)14(12-6-7)9(11)10(16)17/h5-6,9H,3-4H2,1-2H3,(H,16,17)
InChIKeyLEJFYUKPAYFNEB-UHFFFAOYSA-N
XLogP0.64
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Fluoro-6-oxopyridazin-1-yl)acetic acid
CID 162728034
Ethyl 2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-fluoroacetate
CID 113579338
Ethyl 2-[4-(diethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate
CID 113579346
2-Fluoro-2-[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetic acid
CID 113579354
2-Fluoro-2-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetic acid
CID 113579365
2-Fluoro-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetic acid
CID 114393812
2-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetic acid
CID 114393853
Ethyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2-fluoroacetate
CID 114393854
2-Fluoro-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid
CID 114393892
2-Fluoro-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetic acid
CID 114393914
2-Fluoro-2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetic acid
CID 114393936
2-Fluoro-2-[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]acetic acid
CID 114393959

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid?
The IUPAC name of 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid (CID 114394094) is 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid.
What is the SMILES notation for 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid?
The canonical SMILES for 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid is CCCN(C)c1cnn(C(F)C(=O)O)c(=O)c1.
What is the InChIKey of 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid?
The InChIKey is LEJFYUKPAYFNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-3-4-13(2)7-5-8(15)14(12-6-7)9(11)10(16)17/h5-6,9H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid?
2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid has a molecular weight of 243.24 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]acetic acid is sourced from PubChem (CID 114394094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).