3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole

C13H17N3 — CID 61337716

IUPAC3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(CCc2ccccc2)n[nH]1
InChIInChI=1S/C13H17N3/c1-2-6-12-14-13(16-15-12)10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,14,15,16)
InChIKeyUZAYKNYTTCZYGH-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.54
Rot. Bonds5

About 3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole

3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole (PubChem CID 61337716) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole
PubChem CID61337716
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(CCc2ccccc2)n[nH]1
InChIInChI=1S/C13H17N3/c1-2-6-12-14-13(16-15-12)10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,14,15,16)
InChIKeyUZAYKNYTTCZYGH-UHFFFAOYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenyl-4H-1,2,4-triazol-3-amine
CID 95778
3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
4-Amino-3,5-dibenzyl-1,2,4-triazole
CID 96265
5-benzyl-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 2147143
3-Phenyl-5-p-tolyl-S-triazole
CID 134528
5-(4-butylphenyl)-1H-1,2,4-triazol-3-amine
CID 2282389
5-(4-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 747058
3-methyl-5-phenyl-1H-1,2,4-triazole
CID 594381
3-benzyl-4H-1,2,4-triazole
CID 594447
5-(2-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 684580
3-(Phenylmethyl)-1H-1,2,4-triazol-5-amine
CID 1116697
5-Chloro-3-phenyl-1H-1,2,4-triazole
CID 11229128

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole?
The IUPAC name of 3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole (CID 61337716) is 3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole is CCCc1nc(CCc2ccccc2)n[nH]1.
What is the InChIKey of 3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole?
The InChIKey is UZAYKNYTTCZYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-6-12-14-13(16-15-12)10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,14,15,16).
What are the key properties of 3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole?
3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole has a molecular weight of 215.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole is sourced from PubChem (CID 61337716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).