N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide

C13H19N3O3 — CID 78956966

IUPACN-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC2(C)COC2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-3-6-16-11(17)5-4-10(15-16)12(18)14-7-13(2)8-19-9-13/h4-5H,3,6-9H2,1-2H3,(H,14,18)
InChIKeyWFYRJZOJOSUBHK-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.42
Rot. Bonds5

About N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 78956966) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID78956966
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC2(C)COC2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-3-6-16-11(17)5-4-10(15-16)12(18)14-7-13(2)8-19-9-13/h4-5H,3,6-9H2,1-2H3,(H,14,18)
InChIKeyWFYRJZOJOSUBHK-UHFFFAOYSA-N
XLogP0.42
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 78956966) is N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCC2(C)COC2)ccc1=O.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is WFYRJZOJOSUBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-6-16-11(17)5-4-10(15-16)12(18)14-7-13(2)8-19-9-13/h4-5H,3,6-9H2,1-2H3,(H,14,18).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 78956966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).