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

C7H10ClN3O — CID 67363529

IUPAC5-chloro-4-(propylamino)-1H-pyridazin-6-one
SMILESCCCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O/c1-2-3-9-5-4-10-11-7(12)6(5)8/h4H,2-3H2,1H3,(H2,9,11,12)
InChIKeyWUNYPESFYPZJEH-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.25
Rot. Bonds3

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

5-chloro-4-(propylamino)-1H-pyridazin-6-one (PubChem CID 67363529) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 5-chloro-4-(propylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(propylamino)-1H-pyridazin-6-one
PubChem CID67363529
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name5-chloro-4-(propylamino)-1H-pyridazin-6-one
SMILESCCCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C7H10ClN3O/c1-2-3-9-5-4-10-11-7(12)6(5)8/h4H,2-3H2,1H3,(H2,9,11,12)
InChIKeyWUNYPESFYPZJEH-UHFFFAOYSA-N
XLogP1.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(propylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(propylamino)-1H-pyridazin-6-one (CID 67363529) is 5-chloro-4-(propylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(propylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(propylamino)-1H-pyridazin-6-one is CCCNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(propylamino)-1H-pyridazin-6-one?
The InChIKey is WUNYPESFYPZJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-2-3-9-5-4-10-11-7(12)6(5)8/h4H,2-3H2,1H3,(H2,9,11,12).
What are the key properties of 5-chloro-4-(propylamino)-1H-pyridazin-6-one?
5-chloro-4-(propylamino)-1H-pyridazin-6-one has a molecular weight of 187.63 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(propylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 67363529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).