N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide

C10H10N4O3 — CID 113248414

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1noc(NC(=O)c2ccc(=O)[nH]n2)c1C
InChIInChI=1S/C10H10N4O3/c1-5-6(2)14-17-10(5)11-9(16)7-3-4-8(15)13-12-7/h3-4H,1-2H3,(H,11,16)(H,13,15)
InChIKeyLWDVRNXSPYHHMT-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.63
Rot. Bonds2

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 113248414) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID113248414
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1noc(NC(=O)c2ccc(=O)[nH]n2)c1C
InChIInChI=1S/C10H10N4O3/c1-5-6(2)14-17-10(5)11-9(16)7-3-4-8(15)13-12-7/h3-4H,1-2H3,(H,11,16)(H,13,15)
InChIKeyLWDVRNXSPYHHMT-UHFFFAOYSA-N
XLogP0.63
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110669835
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47916250
N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-(methylamino)pyridine-2-carboxamide
CID 65481765
5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide
CID 107375965
4-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488539
N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-hydrazinylpyridine-2-carboxamide
CID 65480786
3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171259
N-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600396
3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide
CID 65486049
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide
CID 65487175
2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
CID 103722577
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 31456332

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 113248414) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide is Cc1noc(NC(=O)c2ccc(=O)[nH]n2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is LWDVRNXSPYHHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-5-6(2)14-17-10(5)11-9(16)7-3-4-8(15)13-12-7/h3-4H,1-2H3,(H,11,16)(H,13,15).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 234.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 113248414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).