2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine

C22H31N5O — CID 70581507

IUPAC2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine
SMILESCOc1ccccc1N1CCN(CCCCCN2C=C3C=CC=CN3N2)CC1
InChIInChI=1S/C22H31N5O/c1-28-22-11-4-3-10-21(22)25-17-15-24(16-18-25)12-6-2-7-13-26-19-20-9-5-8-14-27(20)23-26/h3-5,8-11,14,19,23H,2,6-7,12-13,15-18H2,1H3
InChIKeyNUTFZTQMCBEQDO-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.95
Rot. Bonds8

About 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine

2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine (PubChem CID 70581507) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine
PubChem CID70581507
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine
SMILESCOc1ccccc1N1CCN(CCCCCN2C=C3C=CC=CN3N2)CC1
InChIInChI=1S/C22H31N5O/c1-28-22-11-4-3-10-21(22)25-17-15-24(16-18-25)12-6-2-7-13-26-19-20-9-5-8-14-27(20)23-26/h3-5,8-11,14,19,23H,2,6-7,12-13,15-18H2,1H3
InChIKeyNUTFZTQMCBEQDO-UHFFFAOYSA-N
XLogP2.95
TPSA34.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine
CID 141135477
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylbutan-1-imine
CID 85055232
1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
CID 122498630
3-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-1,3-benzoxazol-2-one
CID 118713683
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione
CID 139780418
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine?
The IUPAC name of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine (CID 70581507) is 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine is COc1ccccc1N1CCN(CCCCCN2C=C3C=CC=CN3N2)CC1.
What is the InChIKey of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine?
The InChIKey is NUTFZTQMCBEQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-28-22-11-4-3-10-21(22)25-17-15-24(16-18-25)12-6-2-7-13-26-19-20-9-5-8-14-27(20)23-26/h3-5,8-11,14,19,23H,2,6-7,12-13,15-18H2,1H3.
What are the key properties of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine?
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine has a molecular weight of 381.52 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine is sourced from PubChem (CID 70581507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).