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

C19H23N5O — CID 136559815

IUPAC4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propylphthalazin-1-one
SMILESCCCn1nc(-c2nnc3n2CC(C)(C)CC3)c2ccccc2c1=O
InChIInChI=1S/C19H23N5O/c1-4-11-24-18(25)14-8-6-5-7-13(14)16(22-24)17-21-20-15-9-10-19(2,3)12-23(15)17/h5-8H,4,9-12H2,1-3H3
InChIKeySZQCOWDNCLFBEM-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.04
Rot. Bonds3

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

4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propylphthalazin-1-one (PubChem CID 136559815) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propylphthalazin-1-one.

Molecular Properties

Compound Name4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propylphthalazin-1-one
PubChem CID136559815
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propylphthalazin-1-one
SMILESCCCn1nc(-c2nnc3n2CC(C)(C)CC3)c2ccccc2c1=O
InChIInChI=1S/C19H23N5O/c1-4-11-24-18(25)14-8-6-5-7-13(14)16(22-24)17-21-20-15-9-10-19(2,3)12-23(15)17/h5-8H,4,9-12H2,1-3H3
InChIKeySZQCOWDNCLFBEM-UHFFFAOYSA-N
XLogP3.04
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-ethylphthalazin-1-one
CID 136559811
3-(2-bromophenyl)-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 136559830
3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide
CID 2024185
1-phenyl-3-propylthieno[3,4-d]pyridazin-4-one
CID 134113756
ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-propylphthalazin-1-one
CID 2594981
[(3S)-2-oxooxolan-3-yl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 2602901
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 2108113
N'-[(3R)-1-benzyl-3-hydroxypyrrolidine-3-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 95769128
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-propylphthalazin-1-one
CID 26008732
2-butyl-4-(3-chlorophenyl)phthalazin-1-one
CID 86166030

Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propylphthalazin-1-one?
The IUPAC name of 4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propylphthalazin-1-one (CID 136559815) is 4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propylphthalazin-1-one.
What is the SMILES notation for 4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propylphthalazin-1-one?
The canonical SMILES for 4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propylphthalazin-1-one is CCCn1nc(-c2nnc3n2CC(C)(C)CC3)c2ccccc2c1=O.
What is the InChIKey of 4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propylphthalazin-1-one?
The InChIKey is SZQCOWDNCLFBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-11-24-18(25)14-8-6-5-7-13(14)16(22-24)17-21-20-15-9-10-19(2,3)12-23(15)17/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propylphthalazin-1-one?
4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propylphthalazin-1-one has a molecular weight of 337.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propylphthalazin-1-one is sourced from PubChem (CID 136559815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).