2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine

C19H20N6O2 — CID 134127565

IUPAC2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine
SMILESCc1nc(C2CC(c3ccccn3)NN2)n(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C19H20N6O2/c1-12-21-19(16-11-15(22-23-16)14-4-2-3-7-20-14)25(24-12)13-5-6-17-18(10-13)27-9-8-26-17/h2-7,10,15-16,22-23H,8-9,11H2,1H3
InChIKeyXVXLUNUXSSFLAP-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.02
Rot. Bonds3

About 2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine

2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine (PubChem CID 134127565) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine
PubChem CID134127565
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine
SMILESCc1nc(C2CC(c3ccccn3)NN2)n(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C19H20N6O2/c1-12-21-19(16-11-15(22-23-16)14-4-2-3-7-20-14)25(24-12)13-5-6-17-18(10-13)27-9-8-26-17/h2-7,10,15-16,22-23H,8-9,11H2,1H3
InChIKeyXVXLUNUXSSFLAP-UHFFFAOYSA-N
XLogP2.02
TPSA86.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(1S,2S,4S)-2-amino-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,2,4-triazol-3-yl]cyclopentan-1-ol
CID 155502651
(3R)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazin-2-one
CID 97455188
2-[5-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50980083
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]methyl]thiolane 1,1-dioxide
CID 46991773
2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol
CID 134077029
2-[2-(1,3-benzodioxol-5-yl)pyrazol-3-yl]pyridine
CID 141141769
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863
5-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,2,4-triazol-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 50974094
2-methyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepine
CID 11008969
6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one
CID 175857279
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 72904926
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)-5-(oxolan-3-yl)-1,2,4-triazole
CID 50968304

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine?
The IUPAC name of 2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine (CID 134127565) is 2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine.
What is the SMILES notation for 2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine?
The canonical SMILES for 2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine is Cc1nc(C2CC(c3ccccn3)NN2)n(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine?
The InChIKey is XVXLUNUXSSFLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-21-19(16-11-15(22-23-16)14-4-2-3-7-20-14)25(24-12)13-5-6-17-18(10-13)27-9-8-26-17/h2-7,10,15-16,22-23H,8-9,11H2,1H3.
What are the key properties of 2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine?
2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine has a molecular weight of 364.41 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine is sourced from PubChem (CID 134127565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).