5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C19H21N5O2 — CID 163310893

IUPAC5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n2ncnc2c1
InChIInChI=1S/C19H21N5O2/c1-2-16(24-19(3-1)20-13-21-24)12-23-8-6-22(7-9-23)11-15-4-5-17-18(10-15)26-14-25-17/h1-5,10,13H,6-9,11-12,14H2
InChIKeyMMVRACBWUFKRSD-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.78
Rot. Bonds4

About 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 163310893) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID163310893
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n2ncnc2c1
InChIInChI=1S/C19H21N5O2/c1-2-16(24-19(3-1)20-13-21-24)12-23-8-6-22(7-9-23)11-15-4-5-17-18(10-15)26-14-25-17/h1-5,10,13H,6-9,11-12,14H2
InChIKeyMMVRACBWUFKRSD-UHFFFAOYSA-N
XLogP1.78
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

[3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 39147920
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine;chloride;hydrate
CID 45114229
1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
CID 130380752
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]azepane
CID 112863027
1-(1,3-benzodioxol-5-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine
CID 2838574
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 121086679
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 134310576
1-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methylsulfanyl]piperazine
CID 21019666
(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 28868765
4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 121174182
2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazole
CID 8023046

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 163310893) is 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n2ncnc2c1.
What is the InChIKey of 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MMVRACBWUFKRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-16(24-19(3-1)20-13-21-24)12-23-8-6-22(7-9-23)11-15-4-5-17-18(10-15)26-14-25-17/h1-5,10,13H,6-9,11-12,14H2.
What are the key properties of 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 351.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 163310893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).