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

C14H23ClN4O2 — CID 117094767

IUPAC2-tert-butyl-4-chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one
SMILESCC(C)(C)n1ncc(NCCN2CCOCC2)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O2/c1-14(2,3)19-13(20)12(15)11(10-17-19)16-4-5-18-6-8-21-9-7-18/h10,16H,4-9H2,1-3H3
InChIKeySEPIHHCRAZQNMT-UHFFFAOYSA-N
MW314.82 g/mol
LogP1.40
Rot. Bonds4

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

2-tert-butyl-4-chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one (PubChem CID 117094767) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one
PubChem CID117094767
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name2-tert-butyl-4-chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one
SMILESCC(C)(C)n1ncc(NCCN2CCOCC2)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O2/c1-14(2,3)19-13(20)12(15)11(10-17-19)16-4-5-18-6-8-21-9-7-18/h10,16H,4-9H2,1-3H3
InChIKeySEPIHHCRAZQNMT-UHFFFAOYSA-N
XLogP1.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one (CID 117094767) is 2-tert-butyl-4-chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one is CC(C)(C)n1ncc(NCCN2CCOCC2)c(Cl)c1=O.
What is the InChIKey of 2-tert-butyl-4-chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one?
The InChIKey is SEPIHHCRAZQNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O2/c1-14(2,3)19-13(20)12(15)11(10-17-19)16-4-5-18-6-8-21-9-7-18/h10,16H,4-9H2,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one?
2-tert-butyl-4-chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one has a molecular weight of 314.82 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one is sourced from PubChem (CID 117094767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).