5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one

C9H9N5O2 — CID 2789183

IUPAC5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESCc1ccc(C=NNc2cn[nH]c(=O)n2)o1
InChIInChI=1S/C9H9N5O2/c1-6-2-3-7(16-6)4-10-13-8-5-11-14-9(15)12-8/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyVKRGPDJCPFGKHB-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.51
Rot. Bonds3

About 5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one

5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one (PubChem CID 2789183) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
PubChem CID2789183
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESCc1ccc(C=NNc2cn[nH]c(=O)n2)o1
InChIInChI=1S/C9H9N5O2/c1-6-2-3-7(16-6)4-10-13-8-5-11-14-9(15)12-8/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyVKRGPDJCPFGKHB-UHFFFAOYSA-N
XLogP0.51
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one 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 5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one (CID 2789183) is 5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is Cc1ccc(C=NNc2cn[nH]c(=O)n2)o1.
What is the InChIKey of 5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The InChIKey is VKRGPDJCPFGKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-6-2-3-7(16-6)4-10-13-8-5-11-14-9(15)12-8/h2-5H,1H3,(H2,12,13,14,15).
What are the key properties of 5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one has a molecular weight of 219.20 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 2789183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).