5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one

C11H10FN5O — CID 2789651

IUPAC5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1NN=Cc1ccc(F)cc1
InChIInChI=1S/C11H10FN5O/c1-7-10(14-11(18)17-15-7)16-13-6-8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,14,16,17,18)
InChIKeyVWFTZBPPMRDHMG-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.06
Rot. Bonds3

About 5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one

5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 2789651) has the molecular formula C11H10FN5O and a molecular weight of 247.23 g/mol. Its IUPAC name is 5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID2789651
Molecular FormulaC11H10FN5O
Molecular Weight247.23 g/mol
Exact Mass247.09
IUPAC Name5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1NN=Cc1ccc(F)cc1
InChIInChI=1S/C11H10FN5O/c1-7-10(14-11(18)17-15-7)16-13-6-8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,14,16,17,18)
InChIKeyVWFTZBPPMRDHMG-UHFFFAOYSA-N
XLogP1.06
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one (CID 2789651) is 5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one is Cc1n[nH]c(=O)nc1NN=Cc1ccc(F)cc1.
What is the InChIKey of 5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is VWFTZBPPMRDHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O/c1-7-10(14-11(18)17-15-7)16-13-6-8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,14,16,17,18).
What are the key properties of 5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 247.23 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 2789651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).