6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide

C11H15N3O3 — CID 52992914

IUPAC6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NCC2CCCO2)nn1
InChIInChI=1S/C11H15N3O3/c1-16-10-5-4-9(13-14-10)11(15)12-7-8-3-2-6-17-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,15)
InChIKeyTXBZMKGFQBWWBE-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.39
Rot. Bonds4

About 6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide

6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 52992914) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID52992914
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NCC2CCCO2)nn1
InChIInChI=1S/C11H15N3O3/c1-16-10-5-4-9(13-14-10)11(15)12-7-8-3-2-6-17-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,15)
InChIKeyTXBZMKGFQBWWBE-UHFFFAOYSA-N
XLogP0.39
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide (CID 52992914) is 6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide is COc1ccc(C(=O)NCC2CCCO2)nn1.
What is the InChIKey of 6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is TXBZMKGFQBWWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-10-5-4-9(13-14-10)11(15)12-7-8-3-2-6-17-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,15).
What are the key properties of 6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide?
6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 52992914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).