6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C21H20N8O2 — CID 126926376

IUPAC6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCCC1Cn1nc(-n2ccnc2)ccc1=O
InChIInChI=1S/C21H20N8O2/c30-20-9-8-19(26-12-10-22-15-26)25-28(20)14-17-7-4-11-27(17)21(31)18-13-23-29(24-18)16-5-2-1-3-6-16/h1-3,5-6,8-10,12-13,15,17H,4,7,11,14H2
InChIKeyHNAULFFTCYFNHS-UHFFFAOYSA-N
MW416.45 g/mol
LogP1.31
Rot. Bonds5

About 6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126926376) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126926376
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCCC1Cn1nc(-n2ccnc2)ccc1=O
InChIInChI=1S/C21H20N8O2/c30-20-9-8-19(26-12-10-22-15-26)25-28(20)14-17-7-4-11-27(17)21(31)18-13-23-29(24-18)16-5-2-1-3-6-16/h1-3,5-6,8-10,12-13,15,17H,4,7,11,14H2
InChIKeyHNAULFFTCYFNHS-UHFFFAOYSA-N
XLogP1.31
TPSA103.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926381
6-imidazol-1-yl-2-[[1-[2-(1-methylindol-3-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926405
6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926440
2-[[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926648
2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926538
6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926534
2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one
CID 126926657
6-imidazol-1-yl-2-[[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926545
2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926503
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 90493140
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926572

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126926376) is 6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is O=C(c1cnn(-c2ccccc2)n1)N1CCCC1Cn1nc(-n2ccnc2)ccc1=O.
What is the InChIKey of 6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is HNAULFFTCYFNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c30-20-9-8-19(26-12-10-22-15-26)25-28(20)14-17-7-4-11-27(17)21(31)18-13-23-29(24-18)16-5-2-1-3-6-16/h1-3,5-6,8-10,12-13,15,17H,4,7,11,14H2.
What are the key properties of 6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 416.45 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126926376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).