5-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one

C10H9ClN4O2 — CID 6376210

IUPAC5-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCc1ccc(/C=N\Nc2cn[nH]c(=O)c2Cl)o1
InChIInChI=1S/C10H9ClN4O2/c1-6-2-3-7(17-6)4-12-14-8-5-13-15-10(16)9(8)11/h2-5H,1H3,(H2,14,15,16)/b12-4-
InChIKeyJYLBHTABQKJMSK-QCDXTXTGSA-N
MW252.66 g/mol
LogP1.77
Rot. Bonds3

About 5-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 6376210) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 5-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID6376210
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name5-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCc1ccc(/C=N\Nc2cn[nH]c(=O)c2Cl)o1
InChIInChI=1S/C10H9ClN4O2/c1-6-2-3-7(17-6)4-12-14-8-5-13-15-10(16)9(8)11/h2-5H,1H3,(H2,14,15,16)/b12-4-
InChIKeyJYLBHTABQKJMSK-QCDXTXTGSA-N
XLogP1.77
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.77
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-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 6376210) is 5-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one is Cc1ccc(/C=N\Nc2cn[nH]c(=O)c2Cl)o1.
What is the InChIKey of 5-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is JYLBHTABQKJMSK-QCDXTXTGSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-6-2-3-7(17-6)4-12-14-8-5-13-15-10(16)9(8)11/h2-5H,1H3,(H2,14,15,16)/b12-4-.
What are the key properties of 5-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 252.66 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 6376210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).