tert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate

C13H22N4O3 — CID 170598498

IUPACtert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate
SMILESCCN(C)c1cc(NC(=O)OC(C)(C)C)nnc1CO
InChIInChI=1S/C13H22N4O3/c1-6-17(5)10-7-11(16-15-9(10)8-18)14-12(19)20-13(2,3)4/h7,18H,6,8H2,1-5H3,(H,14,16,19)
InChIKeyWUVCMJQTTJEIJU-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.77
Rot. Bonds4

About tert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate

tert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate (PubChem CID 170598498) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate
PubChem CID170598498
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Nametert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate
SMILESCCN(C)c1cc(NC(=O)OC(C)(C)C)nnc1CO
InChIInChI=1S/C13H22N4O3/c1-6-17(5)10-7-11(16-15-9(10)8-18)14-12(19)20-13(2,3)4/h7,18H,6,8H2,1-5H3,(H,14,16,19)
InChIKeyWUVCMJQTTJEIJU-UHFFFAOYSA-N
XLogP1.77
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate (CID 170598498) is tert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate is CCN(C)c1cc(NC(=O)OC(C)(C)C)nnc1CO.
What is the InChIKey of tert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate?
The InChIKey is WUVCMJQTTJEIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-6-17(5)10-7-11(16-15-9(10)8-18)14-12(19)20-13(2,3)4/h7,18H,6,8H2,1-5H3,(H,14,16,19).
What are the key properties of tert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate?
tert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamate is sourced from PubChem (CID 170598498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).