tert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium

C20H26N3O5Y- — CID 153379751

IUPACtert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium
SMILESCOc1cnn(CCO)c(=O)c1-c1ccc(C[CH-]NC(=O)OC(C)(C)C)cc1.[Y]
InChIInChI=1S/C20H26N3O5.Y/c1-20(2,3)28-19(26)21-10-9-14-5-7-15(8-6-14)17-16(27-4)13-22-23(11-12-24)18(17)25;/h5-8,10,13,24H,9,11-12H2,1-4H3,(H,21,26);/q-1;
InChIKeyFQUIEBRTIFERDS-UHFFFAOYSA-N
MW477.35 g/mol
LogP2.14
Rot. Bonds7

About tert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium

tert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium (PubChem CID 153379751) has the molecular formula C20H26N3O5Y- and a molecular weight of 477.35 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium
PubChem CID153379751
Molecular FormulaC20H26N3O5Y-
Molecular Weight477.35 g/mol
Exact Mass477.09
IUPAC Nametert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium
SMILESCOc1cnn(CCO)c(=O)c1-c1ccc(C[CH-]NC(=O)OC(C)(C)C)cc1.[Y]
InChIInChI=1S/C20H26N3O5.Y/c1-20(2,3)28-19(26)21-10-9-14-5-7-15(8-6-14)17-16(27-4)13-22-23(11-12-24)18(17)25;/h5-8,10,13,24H,9,11-12H2,1-4H3,(H,21,26);/q-1;
InChIKeyFQUIEBRTIFERDS-UHFFFAOYSA-N
XLogP2.14
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium?
The IUPAC name of tert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium (CID 153379751) is tert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium.
What is the SMILES notation for tert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium?
The canonical SMILES for tert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium is COc1cnn(CCO)c(=O)c1-c1ccc(C[CH-]NC(=O)OC(C)(C)C)cc1.[Y].
What is the InChIKey of tert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium?
The InChIKey is FQUIEBRTIFERDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N3O5.Y/c1-20(2,3)28-19(26)21-10-9-14-5-7-15(8-6-14)17-16(27-4)13-22-23(11-12-24)18(17)25;/h5-8,10,13,24H,9,11-12H2,1-4H3,(H,21,26);/q-1;.
What are the key properties of tert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium?
tert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium has a molecular weight of 477.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]ethyl]carbamate;yttrium is sourced from PubChem (CID 153379751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).