8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

C14H15FN4O — CID 25002583

IUPAC8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESNc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
InChIInChI=1S/C14H15FN4O/c15-10-4-3-8(6-11(10)16)7-12-13-9(2-1-5-17-13)14(20)19-18-12/h3-4,6,17H,1-2,5,7,16H2,(H,19,20)
InChIKeyFHSPZNJQUIPRJJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.44
Rot. Bonds2

About 8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 25002583) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID25002583
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESNc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
InChIInChI=1S/C14H15FN4O/c15-10-4-3-8(6-11(10)16)7-12-13-9(2-1-5-17-13)14(20)19-18-12/h3-4,6,17H,1-2,5,7,16H2,(H,19,20)
InChIKeyFHSPZNJQUIPRJJ-UHFFFAOYSA-N
XLogP1.44
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 25002583) is 8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F.
What is the InChIKey of 8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is FHSPZNJQUIPRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-10-4-3-8(6-11(10)16)7-12-13-9(2-1-5-17-13)14(20)19-18-12/h3-4,6,17H,1-2,5,7,16H2,(H,19,20).
What are the key properties of 8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 274.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-amino-4-fluorophenyl)methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 25002583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).