7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C18H17N5O3 — CID 134792593

IUPAC7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1cccc(C(=O)N2CCn3c(nn(-c4ccncc4)c3=O)C2)c1
InChIInChI=1S/C18H17N5O3/c1-26-15-4-2-3-13(11-15)17(24)21-9-10-22-16(12-21)20-23(18(22)25)14-5-7-19-8-6-14/h2-8,11H,9-10,12H2,1H3
InChIKeyDGVWEFYMTRWSID-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.09
Rot. Bonds3

About 7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134792593) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134792593
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1cccc(C(=O)N2CCn3c(nn(-c4ccncc4)c3=O)C2)c1
InChIInChI=1S/C18H17N5O3/c1-26-15-4-2-3-13(11-15)17(24)21-9-10-22-16(12-21)20-23(18(22)25)14-5-7-19-8-6-14/h2-8,11H,9-10,12H2,1H3
InChIKeyDGVWEFYMTRWSID-UHFFFAOYSA-N
XLogP1.09
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one with MolForge

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Related Compounds

(3-methoxyphenyl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53193618
7-benzoyl-2-(3-chlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134790600
3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl-(3-methoxyphenyl)methanone
CID 110872433
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
(3-methoxyphenyl)-[3-[(2S)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 95834008
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(4S)-1-(3-methoxyphenyl)-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29136650
(3-methoxyphenyl)-[4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 42862438
6-(3-methoxybenzoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 136529400
1-(3-methoxybenzoyl)imidazolidin-2-one
CID 54776384

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134792593) is 7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1cccc(C(=O)N2CCn3c(nn(-c4ccncc4)c3=O)C2)c1.
What is the InChIKey of 7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is DGVWEFYMTRWSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-26-15-4-2-3-13(11-15)17(24)21-9-10-22-16(12-21)20-23(18(22)25)14-5-7-19-8-6-14/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 351.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxybenzoyl)-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134792593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).