6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide

C11H16N4O2 — CID 79099568

IUPAC6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCC2CCCCO2)nn1
InChIInChI=1S/C11H16N4O2/c12-11(16)9-4-5-10(15-14-9)13-7-8-3-1-2-6-17-8/h4-5,8H,1-3,6-7H2,(H2,12,16)(H,13,15)
InChIKeyFMUGJFGMBCGELC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.56
Rot. Bonds4

About 6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide

6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 79099568) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID79099568
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NCC2CCCCO2)nn1
InChIInChI=1S/C11H16N4O2/c12-11(16)9-4-5-10(15-14-9)13-7-8-3-1-2-6-17-8/h4-5,8H,1-3,6-7H2,(H2,12,16)(H,13,15)
InChIKeyFMUGJFGMBCGELC-UHFFFAOYSA-N
XLogP0.56
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109112983
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
CID 109109214
6-(ethylamino)-N-(oxan-2-ylmethyl)pyridazine-3-carboxamide
CID 62181516
N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109113900
N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
CID 109114873
N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114870
N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114879
N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114812
3,4-dihydro-1H-isoquinolin-2-yl-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone
CID 109114824
6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79825613
6-[(3-hydroxycyclohexyl)methylamino]pyridazine-3-carboxamide
CID 103715279

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of 6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide (CID 79099568) is 6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for 6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide is NC(=O)c1ccc(NCC2CCCCO2)nn1.
What is the InChIKey of 6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is FMUGJFGMBCGELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-11(16)9-4-5-10(15-14-9)13-7-8-3-1-2-6-17-8/h4-5,8H,1-3,6-7H2,(H2,12,16)(H,13,15).
What are the key properties of 6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide?
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 79099568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).