4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride

C12H19ClN4O3 — CID 18406737

IUPAC4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride
SMILESO=c1[nH]ncc(N2CCOCC2)c1N1CCOCC1.[Cl-].[H+]
InChIInChI=1S/C12H18N4O3.ClH/c17-12-11(16-3-7-19-8-4-16)10(9-13-14-12)15-1-5-18-6-2-15;/h9H,1-8H2,(H,14,17);1H
InChIKeyLSUOUAJDNLPODU-UHFFFAOYSA-N
MW302.76 g/mol
LogP-3.44
Rot. Bonds2

About 4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride

4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride (PubChem CID 18406737) has the molecular formula C12H19ClN4O3 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride.

Molecular Properties

Compound Name4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride
PubChem CID18406737
Molecular FormulaC12H19ClN4O3
Molecular Weight302.76 g/mol
Exact Mass302.11
IUPAC Name4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride
SMILESO=c1[nH]ncc(N2CCOCC2)c1N1CCOCC1.[Cl-].[H+]
InChIInChI=1S/C12H18N4O3.ClH/c17-12-11(16-3-7-19-8-4-16)10(9-13-14-12)15-1-5-18-6-2-15;/h9H,1-8H2,(H,14,17);1H
InChIKeyLSUOUAJDNLPODU-UHFFFAOYSA-N
XLogP-3.44
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 5-3.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride?
The IUPAC name of 4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride (CID 18406737) is 4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride.
What is the SMILES notation for 4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride?
The canonical SMILES for 4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride is O=c1[nH]ncc(N2CCOCC2)c1N1CCOCC1.[Cl-].[H+].
What is the InChIKey of 4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride?
The InChIKey is LSUOUAJDNLPODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3.ClH/c17-12-11(16-3-7-19-8-4-16)10(9-13-14-12)15-1-5-18-6-2-15;/h9H,1-8H2,(H,14,17);1H.
What are the key properties of 4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride?
4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride has a molecular weight of 302.76 g/mol, XLogP of -3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimorpholin-4-yl-1H-pyridazin-6-one;hydron;chloride is sourced from PubChem (CID 18406737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).