2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine

C18H22ClN5O — CID 71133795

IUPAC2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine
SMILESClc1cccc(N2CCN(CCCN3N=C4C=CC=CN4O3)CC2)c1
InChIInChI=1S/C18H22ClN5O/c19-16-5-3-6-17(15-16)22-13-11-21(12-14-22)8-4-10-24-20-18-7-1-2-9-23(18)25-24/h1-3,5-7,9,15H,4,8,10-14H2
InChIKeyLWDMLGCYEUAUJR-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.71
Rot. Bonds5

About 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine

2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine (PubChem CID 71133795) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine.

Molecular Properties

Compound Name2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine
PubChem CID71133795
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine
SMILESClc1cccc(N2CCN(CCCN3N=C4C=CC=CN4O3)CC2)c1
InChIInChI=1S/C18H22ClN5O/c19-16-5-3-6-17(15-16)22-13-11-21(12-14-22)8-4-10-24-20-18-7-1-2-9-23(18)25-24/h1-3,5-7,9,15H,4,8,10-14H2
InChIKeyLWDMLGCYEUAUJR-UHFFFAOYSA-N
XLogP2.71
TPSA34.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine with MolForge

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Related Compounds

5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
9-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7,9,10-triazatricyclo[5.3.0.02,10]deca-3,5-dien-8-one
CID 147819731
[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol
CID 131905298
4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-oxazepan-6-ol
CID 70730770
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl-methanidylazanium
CID 20756629
3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile
CID 12726738
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 119125309
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-methylphthalazin-1-one
CID 110183574
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]benzo[de]isoquinoline-1,3-dione
CID 12965902
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6-dihydro-3H-thieno[2,3-d]triazin-4-one;hydrochloride
CID 24846863
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 70136375
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133320629

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine?
The IUPAC name of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine (CID 71133795) is 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine.
What is the SMILES notation for 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine?
The canonical SMILES for 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine is Clc1cccc(N2CCN(CCCN3N=C4C=CC=CN4O3)CC2)c1.
What is the InChIKey of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine?
The InChIKey is LWDMLGCYEUAUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c19-16-5-3-6-17(15-16)22-13-11-21(12-14-22)8-4-10-24-20-18-7-1-2-9-23(18)25-24/h1-3,5-7,9,15H,4,8,10-14H2.
What are the key properties of 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine?
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine has a molecular weight of 359.86 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,3,5]oxatriazolo[5,4-a]pyridine is sourced from PubChem (CID 71133795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).