N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

C16H10N6O3 — CID 71805133

IUPACN-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1cc2ccccc2oc1=O)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C16H10N6O3/c23-15(11-5-6-14(21-20-11)22-9-17-8-18-22)19-12-7-10-3-1-2-4-13(10)25-16(12)24/h1-9H,(H,19,23)
InChIKeyJHYQXLBKUHLJOZ-UHFFFAOYSA-N
MW334.30 g/mol
LogP1.42
Rot. Bonds3

About N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (PubChem CID 71805133) has the molecular formula C16H10N6O3 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
PubChem CID71805133
Molecular FormulaC16H10N6O3
Molecular Weight334.30 g/mol
Exact Mass334.08
IUPAC NameN-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1cc2ccccc2oc1=O)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C16H10N6O3/c23-15(11-5-6-14(21-20-11)22-9-17-8-18-22)19-12-7-10-3-1-2-4-13(10)25-16(12)24/h1-9H,(H,19,23)
InChIKeyJHYQXLBKUHLJOZ-UHFFFAOYSA-N
XLogP1.42
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide
CID 90509622
N-(9H-fluoren-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805137
N-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805115
N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 136775531
N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805129
N-(2-oxochromen-3-yl)prop-2-enamide
CID 91937746
N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805184
N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 122262082
2,3-dichloro-N-(2-oxochromen-3-yl)benzamide
CID 4025638
N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1-benzofuran-2-carboxamide
CID 126937171
6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide
CID 61217247
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94571557

Frequently Asked Questions

What is the IUPAC name of N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (CID 71805133) is N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is O=C(Nc1cc2ccccc2oc1=O)c1ccc(-n2cncn2)nn1.
What is the InChIKey of N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is JHYQXLBKUHLJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6O3/c23-15(11-5-6-14(21-20-11)22-9-17-8-18-22)19-12-7-10-3-1-2-4-13(10)25-16(12)24/h1-9H,(H,19,23).
What are the key properties of N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 334.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71805133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).