N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

C9H9N5O3 — CID 113238381

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCCc1ncon1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H9N5O3/c15-8-2-1-6(12-13-8)9(16)10-4-3-7-11-5-17-14-7/h1-2,5H,3-4H2,(H,10,16)(H,13,15)
InChIKeyVPFASCKYAJRPII-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.87
Rot. Bonds4

About N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 113238381) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID113238381
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCCc1ncon1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H9N5O3/c15-8-2-1-6(12-13-8)9(16)10-4-3-7-11-5-17-14-7/h1-2,5H,3-4H2,(H,10,16)(H,13,15)
InChIKeyVPFASCKYAJRPII-UHFFFAOYSA-N
XLogP-0.87
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 49411682
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742902
5-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106409133
5-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106406192
N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103710654
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
CID 110795749
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
CID 108793495
2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 107832681
4-amino-5-cyclopropyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 106391751
4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide
CID 106396198

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 113238381) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCCc1ncon1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is VPFASCKYAJRPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c15-8-2-1-6(12-13-8)9(16)10-4-3-7-11-5-17-14-7/h1-2,5H,3-4H2,(H,10,16)(H,13,15).
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 235.20 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 113238381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).