5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one

C15H24N4O2 — CID 102819944

IUPAC5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCC1(C)CN(c2cnn(C[C@@H]3CCCN3)c(=O)c2)CCO1
InChIInChI=1S/C15H24N4O2/c1-15(2)11-18(6-7-21-15)13-8-14(20)19(17-9-13)10-12-4-3-5-16-12/h8-9,12,16H,3-7,10-11H2,1-2H3/t12-/m0/s1
InChIKeyTYHODFYTLCHPCJ-LBPRGKRZSA-N
MW292.38 g/mol
LogP0.61
Rot. Bonds3

About 5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one

5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 102819944) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID102819944
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCC1(C)CN(c2cnn(C[C@@H]3CCCN3)c(=O)c2)CCO1
InChIInChI=1S/C15H24N4O2/c1-15(2)11-18(6-7-21-15)13-8-14(20)19(17-9-13)10-12-4-3-5-16-12/h8-9,12,16H,3-7,10-11H2,1-2H3/t12-/m0/s1
InChIKeyTYHODFYTLCHPCJ-LBPRGKRZSA-N
XLogP0.61
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 102819944) is 5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one is CC1(C)CN(c2cnn(C[C@@H]3CCCN3)c(=O)c2)CCO1.
What is the InChIKey of 5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is TYHODFYTLCHPCJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2)11-18(6-7-21-15)13-8-14(20)19(17-9-13)10-12-4-3-5-16-12/h8-9,12,16H,3-7,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one?
5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylmorpholin-4-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 102819944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).