(3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one

C13H18N4O3 — CID 96512670

IUPAC(3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one
SMILESO=C1OCC[C@H]1N1CCO[C@@H](CNc2cccnn2)C1
InChIInChI=1S/C13H18N4O3/c18-13-11(3-6-20-13)17-5-7-19-10(9-17)8-14-12-2-1-4-15-16-12/h1-2,4,10-11H,3,5-9H2,(H,14,16)/t10-,11+/m0/s1
InChIKeyAAJTYMFREQMNFW-WDEREUQCSA-N
MW278.31 g/mol
LogP-0.10
Rot. Bonds4

About (3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one

(3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one (PubChem CID 96512670) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is (3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one
PubChem CID96512670
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name(3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one
SMILESO=C1OCC[C@H]1N1CCO[C@@H](CNc2cccnn2)C1
InChIInChI=1S/C13H18N4O3/c18-13-11(3-6-20-13)17-5-7-19-10(9-17)8-14-12-2-1-4-15-16-12/h1-2,4,10-11H,3,5-9H2,(H,14,16)/t10-,11+/m0/s1
InChIKeyAAJTYMFREQMNFW-WDEREUQCSA-N
XLogP-0.10
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one?
The IUPAC name of (3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one (CID 96512670) is (3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one?
The canonical SMILES for (3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one is O=C1OCC[C@H]1N1CCO[C@@H](CNc2cccnn2)C1.
What is the InChIKey of (3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one?
The InChIKey is AAJTYMFREQMNFW-WDEREUQCSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-13-11(3-6-20-13)17-5-7-19-10(9-17)8-14-12-2-1-4-15-16-12/h1-2,4,10-11H,3,5-9H2,(H,14,16)/t10-,11+/m0/s1.
What are the key properties of (3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one?
(3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one has a molecular weight of 278.31 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]oxolan-2-one is sourced from PubChem (CID 96512670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).