tert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate

C15H21ClN4O5 — CID 164942076

IUPACtert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CNc2cc(Cl)nnc2OC=O)C1
InChIInChI=1S/C15H21ClN4O5/c1-15(2,3)25-14(22)20-4-5-23-10(8-20)7-17-11-6-12(16)18-19-13(11)24-9-21/h6,9-10H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyVBCKQNOCPFGNML-UHFFFAOYSA-N
MW372.81 g/mol
LogP1.71
Rot. Bonds5

About tert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate

tert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate (PubChem CID 164942076) has the molecular formula C15H21ClN4O5 and a molecular weight of 372.81 g/mol. Its IUPAC name is tert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate
PubChem CID164942076
Molecular FormulaC15H21ClN4O5
Molecular Weight372.81 g/mol
Exact Mass372.12
IUPAC Nametert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CNc2cc(Cl)nnc2OC=O)C1
InChIInChI=1S/C15H21ClN4O5/c1-15(2,3)25-14(22)20-4-5-23-10(8-20)7-17-11-6-12(16)18-19-13(11)24-9-21/h6,9-10H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKeyVBCKQNOCPFGNML-UHFFFAOYSA-N
XLogP1.71
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[[[6-chloro-3-(cyclopentylmethylcarbamoyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate
CID 172815016
tert-butyl 2-[[[3-(benzylcarbamoyl)-6-chloropyridazin-4-yl]amino]methyl]morpholine-4-carboxylate
CID 164598959
tert-butyl (2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxylate
CID 86706987
tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate
CID 24730238
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholine-4-carboxylate
CID 90966020
tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate
CID 175429162
tert-butyl (2S)-2-ethylmorpholine-4-carboxylate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
CID 123628570
tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 155594602
tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate
CID 155594867
tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate
CID 118023184

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate (CID 164942076) is tert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(CNc2cc(Cl)nnc2OC=O)C1.
What is the InChIKey of tert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate?
The InChIKey is VBCKQNOCPFGNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O5/c1-15(2,3)25-14(22)20-4-5-23-10(8-20)7-17-11-6-12(16)18-19-13(11)24-9-21/h6,9-10H,4-5,7-8H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate?
tert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate has a molecular weight of 372.81 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(6-chloro-3-formyloxypyridazin-4-yl)amino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 164942076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).