6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide

C13H20N4O2 — CID 109109214

IUPAC6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NCC2CCCO2)nn1
InChIInChI=1S/C13H20N4O2/c1-2-7-14-13(18)11-5-6-12(17-16-11)15-9-10-4-3-8-19-10/h5-6,10H,2-4,7-9H2,1H3,(H,14,18)(H,15,17)
InChIKeyLHMZVDDWTXBDDW-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.21
Rot. Bonds6

About 6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide

6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide (PubChem CID 109109214) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
PubChem CID109109214
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NCC2CCCO2)nn1
InChIInChI=1S/C13H20N4O2/c1-2-7-14-13(18)11-5-6-12(17-16-11)15-9-10-4-3-8-19-10/h5-6,10H,2-4,7-9H2,1H3,(H,14,18)(H,15,17)
InChIKeyLHMZVDDWTXBDDW-UHFFFAOYSA-N
XLogP1.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109113900
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
CID 106000656
6-(ethylamino)-N-(oxan-2-ylmethyl)pyridazine-3-carboxamide
CID 62181516
N-cyclohexyl-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109112983
N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114812
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114879
N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114870
N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
CID 109114873
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
6-(cyclopropylamino)-N-propylpyridazine-3-carboxamide
CID 109109200

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide?
The IUPAC name of 6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide (CID 109109214) is 6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide is CCCNC(=O)c1ccc(NCC2CCCO2)nn1.
What is the InChIKey of 6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide?
The InChIKey is LHMZVDDWTXBDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-7-14-13(18)11-5-6-12(17-16-11)15-9-10-4-3-8-19-10/h5-6,10H,2-4,7-9H2,1H3,(H,14,18)(H,15,17).
What are the key properties of 6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide?
6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 109109214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).