4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one

C10H17N5O2 — CID 59646973

IUPAC4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one
SMILESNc1cnn(CCN2CCOCC2)c(=O)c1N
InChIInChI=1S/C10H17N5O2/c11-8-7-13-15(10(16)9(8)12)2-1-14-3-5-17-6-4-14/h7H,1-6,11-12H2
InChIKeyBYLYSHTWXLNADC-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.26
Rot. Bonds3

About 4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one

4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one (PubChem CID 59646973) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one
PubChem CID59646973
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one
SMILESNc1cnn(CCN2CCOCC2)c(=O)c1N
InChIInChI=1S/C10H17N5O2/c11-8-7-13-15(10(16)9(8)12)2-1-14-3-5-17-6-4-14/h7H,1-6,11-12H2
InChIKeyBYLYSHTWXLNADC-UHFFFAOYSA-N
XLogP-1.26
TPSA99.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one?
The IUPAC name of 4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one (CID 59646973) is 4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one?
The canonical SMILES for 4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one is Nc1cnn(CCN2CCOCC2)c(=O)c1N.
What is the InChIKey of 4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one?
The InChIKey is BYLYSHTWXLNADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-8-7-13-15(10(16)9(8)12)2-1-14-3-5-17-6-4-14/h7H,1-6,11-12H2.
What are the key properties of 4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one?
4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one has a molecular weight of 239.28 g/mol, XLogP of -1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one is sourced from PubChem (CID 59646973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).