1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea

C16H27N5O3 — CID 70717227

IUPAC1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea
SMILESCn1ncc(N2CCOC(CCNC(=O)NC(C)(C)C)C2)cc1=O
InChIInChI=1S/C16H27N5O3/c1-16(2,3)19-15(23)17-6-5-13-11-21(7-8-24-13)12-9-14(22)20(4)18-10-12/h9-10,13H,5-8,11H2,1-4H3,(H2,17,19,23)
InChIKeyICBLUVYZTPTNPP-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.47
Rot. Bonds4

About 1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea

1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea (PubChem CID 70717227) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea
PubChem CID70717227
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea
SMILESCn1ncc(N2CCOC(CCNC(=O)NC(C)(C)C)C2)cc1=O
InChIInChI=1S/C16H27N5O3/c1-16(2,3)19-15(23)17-6-5-13-11-21(7-8-24-13)12-9-14(22)20(4)18-10-12/h9-10,13H,5-8,11H2,1-4H3,(H2,17,19,23)
InChIKeyICBLUVYZTPTNPP-UHFFFAOYSA-N
XLogP0.47
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}acetamide
CID 56898251
Propyl {2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}carbamate
CID 70730611
N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}-1-piperidinecarboxamide
CID 70756598
1-methyl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}cyclopropanecarboxamide
CID 56885150
2-[4-[2-(2-aminoethyl)-4-morpholinyl]-6-oxo-1(6H)-pyridazinyl]-N-ethyl-N-methylacetamide
CID 56892429
3,3,3-trifluoro-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56885431
5-[2-(2-aminoethyl)-4-morpholinyl]-2-(3,3,3-trifluoropropyl)-3(2H)-pyridazinone
CID 56910075
3,3,3-trifluoro-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95709508
3,3,3-trifluoro-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95709509
5-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 95725139
5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 95725140
5-[2-(2-Aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
CID 56881771

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea (CID 70717227) is 1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea is Cn1ncc(N2CCOC(CCNC(=O)NC(C)(C)C)C2)cc1=O.
What is the InChIKey of 1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea?
The InChIKey is ICBLUVYZTPTNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-16(2,3)19-15(23)17-6-5-13-11-21(7-8-24-13)12-9-14(22)20(4)18-10-12/h9-10,13H,5-8,11H2,1-4H3,(H2,17,19,23).
What are the key properties of 1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea?
1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea has a molecular weight of 337.42 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea is sourced from PubChem (CID 70717227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).