2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide

C20H20N6O2 — CID 91772735

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
SMILESCc1nn(CC(=O)NCCCc2nnc3ccccn23)c(=O)c2ccccc12
InChIInChI=1S/C20H20N6O2/c1-14-15-7-2-3-8-16(15)20(28)26(24-14)13-19(27)21-11-6-10-18-23-22-17-9-4-5-12-25(17)18/h2-5,7-9,12H,6,10-11,13H2,1H3,(H,21,27)
InChIKeyLWDMVZSSIGLUHK-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.50
Rot. Bonds6

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide (PubChem CID 91772735) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
PubChem CID91772735
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
SMILESCc1nn(CC(=O)NCCCc2nnc3ccccn23)c(=O)c2ccccc12
InChIInChI=1S/C20H20N6O2/c1-14-15-7-2-3-8-16(15)20(28)26(24-14)13-19(27)21-11-6-10-18-23-22-17-9-4-5-12-25(17)18/h2-5,7-9,12H,6,10-11,13H2,1H3,(H,21,27)
InChIKeyLWDMVZSSIGLUHK-UHFFFAOYSA-N
XLogP1.50
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445219
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947688
2-(4-ethylpiperazin-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 131926706
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445090
2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 71707056
N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36511322
4-(2-acetylhydrazinyl)-4-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 91947749
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947565
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 91947447
3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide
CID 91947627
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 71706477
4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide
CID 91947735

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide (CID 91772735) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide is Cc1nn(CC(=O)NCCCc2nnc3ccccn23)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
The InChIKey is LWDMVZSSIGLUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-14-15-7-2-3-8-16(15)20(28)26(24-14)13-19(27)21-11-6-10-18-23-22-17-9-4-5-12-25(17)18/h2-5,7-9,12H,6,10-11,13H2,1H3,(H,21,27).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide is sourced from PubChem (CID 91772735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).