N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide

C11H14N6O2 — CID 106408427

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2ncon2)nn1
InChIInChI=1S/C11H14N6O2/c1-2-5-12-9-4-3-8(15-16-9)11(18)13-6-10-14-7-19-17-10/h3-4,7H,2,5-6H2,1H3,(H,12,16)(H,13,18)
InChIKeyDDOYBCCOLPXEPB-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.61
Rot. Bonds6

About N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide

N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide (PubChem CID 106408427) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide
PubChem CID106408427
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2ncon2)nn1
InChIInChI=1S/C11H14N6O2/c1-2-5-12-9-4-3-8(15-16-9)11(18)13-6-10-14-7-19-17-10/h3-4,7H,2,5-6H2,1H3,(H,12,16)(H,13,18)
InChIKeyDDOYBCCOLPXEPB-UHFFFAOYSA-N
XLogP0.61
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide
CID 106402474
N-[(6-methyl-3-pyridinyl)methyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62990589
3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide
CID 106408572
N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62175032
N-[2-(dimethylamino)-2-methylpropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62177462
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
5-amino-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
CID 106391380
5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
CID 106399959
N-[2-(methylsulfamoyl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
CID 106342494
6-(methylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
CID 106408419
3,6-dimethyl-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)benzoic acid
CID 106394631

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide (CID 106408427) is N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide is CCCNc1ccc(C(=O)NCc2ncon2)nn1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide?
The InChIKey is DDOYBCCOLPXEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-2-5-12-9-4-3-8(15-16-9)11(18)13-6-10-14-7-19-17-10/h3-4,7H,2,5-6H2,1H3,(H,12,16)(H,13,18).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide?
N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 106408427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).