2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one

C11H18ClN3O — CID 117094764

IUPAC2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(C(C)(C)C)c(=O)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-5-6-13-8-7-14-15(11(2,3)4)10(16)9(8)12/h7,13H,5-6H2,1-4H3
InChIKeyMQPXZAJBKHYGLO-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.47
Rot. Bonds3

About 2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one

2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one (PubChem CID 117094764) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one
PubChem CID117094764
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(C(C)(C)C)c(=O)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-5-6-13-8-7-14-15(11(2,3)4)10(16)9(8)12/h7,13H,5-6H2,1-4H3
InChIKeyMQPXZAJBKHYGLO-UHFFFAOYSA-N
XLogP2.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one (CID 117094764) is 2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one is CCCNc1cnn(C(C)(C)C)c(=O)c1Cl.
What is the InChIKey of 2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one?
The InChIKey is MQPXZAJBKHYGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-5-6-13-8-7-14-15(11(2,3)4)10(16)9(8)12/h7,13H,5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one?
2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one has a molecular weight of 243.74 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 117094764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).