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

C5H6ClN3O — CID 10725642

IUPAC5-chloro-4-(methylamino)-1H-pyridazin-6-one
SMILESCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C5H6ClN3O/c1-7-3-2-8-9-5(10)4(3)6/h2H,1H3,(H2,7,9,10)
InChIKeyLRJLZXFFOZLZHM-UHFFFAOYSA-N
MW159.58 g/mol
LogP0.47
Rot. Bonds1

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

5-chloro-4-(methylamino)-1H-pyridazin-6-one (PubChem CID 10725642) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is 5-chloro-4-(methylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(methylamino)-1H-pyridazin-6-one
PubChem CID10725642
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name5-chloro-4-(methylamino)-1H-pyridazin-6-one
SMILESCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C5H6ClN3O/c1-7-3-2-8-9-5(10)4(3)6/h2H,1H3,(H2,7,9,10)
InChIKeyLRJLZXFFOZLZHM-UHFFFAOYSA-N
XLogP0.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(methylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(methylamino)-1H-pyridazin-6-one (CID 10725642) is 5-chloro-4-(methylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(methylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(methylamino)-1H-pyridazin-6-one is CNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(methylamino)-1H-pyridazin-6-one?
The InChIKey is LRJLZXFFOZLZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c1-7-3-2-8-9-5(10)4(3)6/h2H,1H3,(H2,7,9,10).
What are the key properties of 5-chloro-4-(methylamino)-1H-pyridazin-6-one?
5-chloro-4-(methylamino)-1H-pyridazin-6-one has a molecular weight of 159.58 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(methylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 10725642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).