tert-butyl 1,6-dihydropyridazine-5-carboxylate

C9H14N2O2 — CID 169099915

IUPACtert-butyl 1,6-dihydropyridazine-5-carboxylate
SMILESCC(C)(C)OC(=O)C1=CC=NNC1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)7-4-5-10-11-6-7/h4-5,11H,6H2,1-3H3
InChIKeyUZJMFZZLHJJZPY-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.84
Rot. Bonds1

About tert-butyl 1,6-dihydropyridazine-5-carboxylate

tert-butyl 1,6-dihydropyridazine-5-carboxylate (PubChem CID 169099915) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is tert-butyl 1,6-dihydropyridazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,6-dihydropyridazine-5-carboxylate
PubChem CID169099915
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nametert-butyl 1,6-dihydropyridazine-5-carboxylate
SMILESCC(C)(C)OC(=O)C1=CC=NNC1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)7-4-5-10-11-6-7/h4-5,11H,6H2,1-3H3
InChIKeyUZJMFZZLHJJZPY-UHFFFAOYSA-N
XLogP0.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrazole-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,6-dihydropyridazine-5-carboxylate?
The IUPAC name of tert-butyl 1,6-dihydropyridazine-5-carboxylate (CID 169099915) is tert-butyl 1,6-dihydropyridazine-5-carboxylate.
What is the SMILES notation for tert-butyl 1,6-dihydropyridazine-5-carboxylate?
The canonical SMILES for tert-butyl 1,6-dihydropyridazine-5-carboxylate is CC(C)(C)OC(=O)C1=CC=NNC1.
What is the InChIKey of tert-butyl 1,6-dihydropyridazine-5-carboxylate?
The InChIKey is UZJMFZZLHJJZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)7-4-5-10-11-6-7/h4-5,11H,6H2,1-3H3.
What are the key properties of tert-butyl 1,6-dihydropyridazine-5-carboxylate?
tert-butyl 1,6-dihydropyridazine-5-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,6-dihydropyridazine-5-carboxylate is sourced from PubChem (CID 169099915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).