tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate

C11H15N3O4 — CID 164537142

IUPACtert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate
SMILESCOc1cc(NC(=O)OC(C)(C)C)nnc1C=O
InChIInChI=1S/C11H15N3O4/c1-11(2,3)18-10(16)12-9-5-8(17-4)7(6-15)13-14-9/h5-6H,1-4H3,(H,12,14,16)
InChIKeyTVEKZWRNZFLGEO-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.64
Rot. Bonds3

About tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate

tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate (PubChem CID 164537142) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate
PubChem CID164537142
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Nametert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate
SMILESCOc1cc(NC(=O)OC(C)(C)C)nnc1C=O
InChIInChI=1S/C11H15N3O4/c1-11(2,3)18-10(16)12-9-5-8(17-4)7(6-15)13-14-9/h5-6H,1-4H3,(H,12,14,16)
InChIKeyTVEKZWRNZFLGEO-UHFFFAOYSA-N
XLogP1.64
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate
CID 164537024
tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate
CID 84812097
tert-butyl N-(4-formyl-6-methoxy-2-pyridinyl)carbamate
CID 18506791
tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)carbamate
CID 118956788
tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate
CID 123779338
tert-butyl N-(4-formyl-2-hydroxy-6-methoxyphenyl)carbamate
CID 84808060
methyl 2-[3-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazin-4-yl]acetate
CID 164525057
tert-butyl N-(5-chloro-2-formyl-4-methoxyphenyl)carbamate
CID 84813438
tert-butyl N-(3-formyl-4-hydroxy-5-methoxyphenyl)carbamate
CID 84808067
tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol
CID 144638830
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate (CID 164537142) is tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate is COc1cc(NC(=O)OC(C)(C)C)nnc1C=O.
What is the InChIKey of tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate?
The InChIKey is TVEKZWRNZFLGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(2,3)18-10(16)12-9-5-8(17-4)7(6-15)13-14-9/h5-6H,1-4H3,(H,12,14,16).
What are the key properties of tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate?
tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate has a molecular weight of 253.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate is sourced from PubChem (CID 164537142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).