N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

C12H8N10O2 — CID 136775531

IUPACN-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1nc2nc[nH]c2c(=O)[nH]1)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C12H8N10O2/c23-10(6-1-2-7(21-20-6)22-5-13-3-16-22)18-12-17-9-8(11(24)19-12)14-4-15-9/h1-5H,(H3,14,15,17,18,19,23,24)
InChIKeyHQMHAHKJOOXTOL-UHFFFAOYSA-N
MW324.26 g/mol
LogP-0.73
Rot. Bonds3

About N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (PubChem CID 136775531) has the molecular formula C12H8N10O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
PubChem CID136775531
Molecular FormulaC12H8N10O2
Molecular Weight324.26 g/mol
Exact Mass324.08
IUPAC NameN-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1nc2nc[nH]c2c(=O)[nH]1)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C12H8N10O2/c23-10(6-1-2-7(21-20-6)22-5-13-3-16-22)18-12-17-9-8(11(24)19-12)14-4-15-9/h1-5H,(H3,14,15,17,18,19,23,24)
InChIKeyHQMHAHKJOOXTOL-UHFFFAOYSA-N
XLogP-0.73
TPSA160.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide with MolForge

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805184
N-(2-oxochromen-3-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805133
N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805109
N-(3-chloro-4-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805115
N-(4-morpholin-4-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805129
N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide
CID 135734285
N-(9H-fluoren-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805137
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805108
2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid
CID 135456846
2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate
CID 135748399
2-(trifluoromethylamino)-1,7-dihydropurin-6-one
CID 141084811
1-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]-3-(6-oxo-1,7-dihydropurin-2-yl)urea
CID 137241828

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (CID 136775531) is N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is O=C(Nc1nc2nc[nH]c2c(=O)[nH]1)c1ccc(-n2cncn2)nn1.
What is the InChIKey of N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is HQMHAHKJOOXTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N10O2/c23-10(6-1-2-7(21-20-6)22-5-13-3-16-22)18-12-17-9-8(11(24)19-12)14-4-15-9/h1-5H,(H3,14,15,17,18,19,23,24).
What are the key properties of N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 324.26 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1,7-dihydropurin-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 136775531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).