2-chloro-5-(propylamino)pyridazin-3-one

C7H10ClN3O — CID 87370947

IUPAC2-chloro-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(Cl)c(=O)c1
InChIInChI=1S/C7H10ClN3O/c1-2-3-9-6-4-7(12)11(8)10-5-6/h4-5,9H,2-3H2,1H3
InChIKeyCSCGHDWQHNATJX-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.07
Rot. Bonds3

About 2-chloro-5-(propylamino)pyridazin-3-one

2-chloro-5-(propylamino)pyridazin-3-one (PubChem CID 87370947) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-chloro-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-chloro-5-(propylamino)pyridazin-3-one
PubChem CID87370947
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name2-chloro-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(Cl)c(=O)c1
InChIInChI=1S/C7H10ClN3O/c1-2-3-9-6-4-7(12)11(8)10-5-6/h4-5,9H,2-3H2,1H3
InChIKeyCSCGHDWQHNATJX-UHFFFAOYSA-N
XLogP1.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-chloro-5-(propylamino)pyridazin-3-one (CID 87370947) is 2-chloro-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-chloro-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-chloro-5-(propylamino)pyridazin-3-one is CCCNc1cnn(Cl)c(=O)c1.
What is the InChIKey of 2-chloro-5-(propylamino)pyridazin-3-one?
The InChIKey is CSCGHDWQHNATJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-2-3-9-6-4-7(12)11(8)10-5-6/h4-5,9H,2-3H2,1H3.
What are the key properties of 2-chloro-5-(propylamino)pyridazin-3-one?
2-chloro-5-(propylamino)pyridazin-3-one has a molecular weight of 187.63 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 87370947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).