5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one

C10H15ClN4O2 — CID 734448

IUPAC5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCN2CCOCC2)c1Cl
InChIInChI=1S/C10H15ClN4O2/c11-9-8(7-13-14-10(9)16)12-1-2-15-3-5-17-6-4-15/h7H,1-6H2,(H2,12,14,16)
InChIKeyHCDPQIMMGHKUIX-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.17
Rot. Bonds4

About 5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one

5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one (PubChem CID 734448) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one
PubChem CID734448
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCN2CCOCC2)c1Cl
InChIInChI=1S/C10H15ClN4O2/c11-9-8(7-13-14-10(9)16)12-1-2-15-3-5-17-6-4-15/h7H,1-6H2,(H2,12,14,16)
InChIKeyHCDPQIMMGHKUIX-UHFFFAOYSA-N
XLogP0.17
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one (CID 734448) is 5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one is O=c1[nH]ncc(NCCN2CCOCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one?
The InChIKey is HCDPQIMMGHKUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c11-9-8(7-13-14-10(9)16)12-1-2-15-3-5-17-6-4-15/h7H,1-6H2,(H2,12,14,16).
What are the key properties of 5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one?
5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one has a molecular weight of 258.71 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-morpholin-4-ylethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 734448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).