7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one

C17H16N8O2 — CID 130277190

IUPAC7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one
SMILESCCc1cc2nnn(CC(C)c3ncc4c(=O)[nH]ncc4n3)c(=O)c2cn1
InChIInChI=1S/C17H16N8O2/c1-3-10-4-13-12(6-18-10)17(27)25(24-22-13)8-9(2)15-19-5-11-14(21-15)7-20-23-16(11)26/h4-7,9H,3,8H2,1-2H3,(H,23,26)
InChIKeyOPRARFYUVXEHEP-UHFFFAOYSA-N
MW364.37 g/mol
LogP0.58
Rot. Bonds4

About 7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one

7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one (PubChem CID 130277190) has the molecular formula C17H16N8O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one.

Molecular Properties

Compound Name7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one
PubChem CID130277190
Molecular FormulaC17H16N8O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one
SMILESCCc1cc2nnn(CC(C)c3ncc4c(=O)[nH]ncc4n3)c(=O)c2cn1
InChIInChI=1S/C17H16N8O2/c1-3-10-4-13-12(6-18-10)17(27)25(24-22-13)8-9(2)15-19-5-11-14(21-15)7-20-23-16(11)26/h4-7,9H,3,8H2,1-2H3,(H,23,26)
InChIKeyOPRARFYUVXEHEP-UHFFFAOYSA-N
XLogP0.58
TPSA132.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-ethyl-3-[2-(5-oxo-6H-pyridazino[3,4-d]pyridazin-3-yl)propyl]pyrido[3,4-d]triazin-4-one
CID 139516307
ethane;2-ethyl-6H-pyrido[2,3-d]pyridazin-5-one
CID 145188289
2-amino-6H-pyrimido[4,5-d]pyridazin-5-one
CID 175953367
8-[(2R)-1-(tetrazol-2-yl)propan-2-yl]-3-(2H-triazol-4-ylmethyl)pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione
CID 25234041
7-ethyl-3-propan-2-ylpyrido[3,4-b]pyrazine
CID 70794246
2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one
CID 175947397
2-(diethylamino)-5-oxo-6H-pyrido[2,3-d]pyridazine-3-carboxylic acid
CID 23342248
N-[(2S)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]propanamide
CID 92587836
2-ethoxy-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
CID 63074080
3-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[4,5-d]triazin-4-one
CID 137092226
3-(2,2-dimethoxyethyl)-1,2,3-benzotriazin-4-one
CID 66223426
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one?
The IUPAC name of 7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one (CID 130277190) is 7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one.
What is the SMILES notation for 7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one?
The canonical SMILES for 7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one is CCc1cc2nnn(CC(C)c3ncc4c(=O)[nH]ncc4n3)c(=O)c2cn1.
What is the InChIKey of 7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one?
The InChIKey is OPRARFYUVXEHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O2/c1-3-10-4-13-12(6-18-10)17(27)25(24-22-13)8-9(2)15-19-5-11-14(21-15)7-20-23-16(11)26/h4-7,9H,3,8H2,1-2H3,(H,23,26).
What are the key properties of 7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one?
7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one has a molecular weight of 364.37 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-[2-(5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl)propyl]pyrido[4,3-d]triazin-4-one is sourced from PubChem (CID 130277190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).