4-(benzylamino)-5-chloro-1H-pyridazin-6-one

C11H10ClN3O — CID 687683

IUPAC4-(benzylamino)-5-chloro-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCc2ccccc2)c1Cl
InChIInChI=1S/C11H10ClN3O/c12-10-9(7-14-15-11(10)16)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,15,16)
InChIKeyPTDXPSQYDOFAAV-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.04
Rot. Bonds3

About 4-(benzylamino)-5-chloro-1H-pyridazin-6-one

4-(benzylamino)-5-chloro-1H-pyridazin-6-one (PubChem CID 687683) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-(benzylamino)-5-chloro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(benzylamino)-5-chloro-1H-pyridazin-6-one
PubChem CID687683
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-(benzylamino)-5-chloro-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCc2ccccc2)c1Cl
InChIInChI=1S/C11H10ClN3O/c12-10-9(7-14-15-11(10)16)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,15,16)
InChIKeyPTDXPSQYDOFAAV-UHFFFAOYSA-N
XLogP2.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-5-chloro-1H-pyridazin-6-one?
The IUPAC name of 4-(benzylamino)-5-chloro-1H-pyridazin-6-one (CID 687683) is 4-(benzylamino)-5-chloro-1H-pyridazin-6-one.
What is the SMILES notation for 4-(benzylamino)-5-chloro-1H-pyridazin-6-one?
The canonical SMILES for 4-(benzylamino)-5-chloro-1H-pyridazin-6-one is O=c1[nH]ncc(NCc2ccccc2)c1Cl.
What is the InChIKey of 4-(benzylamino)-5-chloro-1H-pyridazin-6-one?
The InChIKey is PTDXPSQYDOFAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-10-9(7-14-15-11(10)16)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,15,16).
What are the key properties of 4-(benzylamino)-5-chloro-1H-pyridazin-6-one?
4-(benzylamino)-5-chloro-1H-pyridazin-6-one has a molecular weight of 235.67 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-5-chloro-1H-pyridazin-6-one is sourced from PubChem (CID 687683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).