4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one

C15H22ClN3O — CID 114439997

IUPAC4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
SMILESC=CCn1ncc(NCC2C(C)(C)C2(C)C)c(Cl)c1=O
InChIInChI=1S/C15H22ClN3O/c1-6-7-19-13(20)12(16)10(8-18-19)17-9-11-14(2,3)15(11,4)5/h6,8,11,17H,1,7,9H2,2-5H3
InChIKeyRGKLOMHTQYFLPL-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.18
Rot. Bonds5

About 4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one

4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one (PubChem CID 114439997) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
PubChem CID114439997
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
SMILESC=CCn1ncc(NCC2C(C)(C)C2(C)C)c(Cl)c1=O
InChIInChI=1S/C15H22ClN3O/c1-6-7-19-13(20)12(16)10(8-18-19)17-9-11-14(2,3)15(11,4)5/h6,8,11,17H,1,7,9H2,2-5H3
InChIKeyRGKLOMHTQYFLPL-UHFFFAOYSA-N
XLogP3.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one (CID 114439997) is 4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one is C=CCn1ncc(NCC2C(C)(C)C2(C)C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one?
The InChIKey is RGKLOMHTQYFLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-6-7-19-13(20)12(16)10(8-18-19)17-9-11-14(2,3)15(11,4)5/h6,8,11,17H,1,7,9H2,2-5H3.
What are the key properties of 4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one?
4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one has a molecular weight of 295.81 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114439997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).