1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole

C16H23N5 — CID 134080264

IUPAC1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole
SMILESc1ccc(CCn2ncnc2CCCC2CNNC2)cc1
InChIInChI=1S/C16H23N5/c1-2-5-14(6-3-1)9-10-21-16(17-13-20-21)8-4-7-15-11-18-19-12-15/h1-3,5-6,13,15,18-19H,4,7-12H2
InChIKeyGWDHTROZJITFQB-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.57
Rot. Bonds7

About 1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole

1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole (PubChem CID 134080264) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole
PubChem CID134080264
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole
SMILESc1ccc(CCn2ncnc2CCCC2CNNC2)cc1
InChIInChI=1S/C16H23N5/c1-2-5-14(6-3-1)9-10-21-16(17-13-20-21)8-4-7-15-11-18-19-12-15/h1-3,5-6,13,15,18-19H,4,7-12H2
InChIKeyGWDHTROZJITFQB-UHFFFAOYSA-N
XLogP1.57
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-phenylbutyl)-1,2,4-triazol-3-yl]methanamine
CID 114334607
1-methyl-4-[4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]butan-2-yl]piperazine
CID 131944510
(3R)-3-[[2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one
CID 97207490
1-butyl-5-(3-phenoxypropyl)-1,2,4-triazole
CID 72937444
1-[2-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-diazinane-2,4-dione
CID 72848519
5-methyl-4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]-1,3-oxazole
CID 72850941
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-5-phenylpentan-2-one
CID 105110644
4-cyclopropylbutylbenzene
CID 10261592
5-cyclopropylpentylbenzene
CID 91089836
5-methyl-1-(2-phenylethyl)pyrazole
CID 10419930
3-[4-[2-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]thiolane 1,1-dioxide
CID 72899096

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole?
The IUPAC name of 1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole (CID 134080264) is 1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole is c1ccc(CCn2ncnc2CCCC2CNNC2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole?
The InChIKey is GWDHTROZJITFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-5-14(6-3-1)9-10-21-16(17-13-20-21)8-4-7-15-11-18-19-12-15/h1-3,5-6,13,15,18-19H,4,7-12H2.
What are the key properties of 1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole?
1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole has a molecular weight of 285.39 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-5-(3-pyrazolidin-4-ylpropyl)-1,2,4-triazole is sourced from PubChem (CID 134080264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).