N-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide

C11H15N3O2 — CID 103747326

IUPACN-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCCC1CCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H15N3O2/c15-10-5-4-9(13-14-10)11(16)12-7-6-8-2-1-3-8/h4-5,8H,1-3,6-7H2,(H,12,16)(H,14,15)
InChIKeyJSGMYUQJBDYSEZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.69
Rot. Bonds4

About N-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103747326) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103747326
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCCC1CCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H15N3O2/c15-10-5-4-9(13-14-10)11(16)12-7-6-8-2-1-3-8/h4-5,8H,1-3,6-7H2,(H,12,16)(H,14,15)
InChIKeyJSGMYUQJBDYSEZ-UHFFFAOYSA-N
XLogP0.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103747326) is N-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCCC1CCC1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is JSGMYUQJBDYSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-10-5-4-9(13-14-10)11(16)12-7-6-8-2-1-3-8/h4-5,8H,1-3,6-7H2,(H,12,16)(H,14,15).
What are the key properties of N-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103747326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).