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

C10H11N3 — CID 10397257

IUPAC5-(2-phenylethyl)-1H-1,2,4-triazole
SMILESc1ccc(CCc2ncn[nH]2)cc1
InChIInChI=1S/C10H11N3/c1-2-4-9(5-3-1)6-7-10-11-8-12-13-10/h1-5,8H,6-7H2,(H,11,12,13)
InChIKeyCMIDWHYBJLVBKP-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.59
Rot. Bonds3

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

5-(2-phenylethyl)-1H-1,2,4-triazole (PubChem CID 10397257) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 5-(2-phenylethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-phenylethyl)-1H-1,2,4-triazole
PubChem CID10397257
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name5-(2-phenylethyl)-1H-1,2,4-triazole
SMILESc1ccc(CCc2ncn[nH]2)cc1
InChIInChI=1S/C10H11N3/c1-2-4-9(5-3-1)6-7-10-11-8-12-13-10/h1-5,8H,6-7H2,(H,11,12,13)
InChIKeyCMIDWHYBJLVBKP-UHFFFAOYSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-1,2,4-Triazole, 5-phenyl-
CID 18786
3-methyl-5-phenyl-1H-1,2,4-triazole
CID 594381
3-benzyl-4H-1,2,4-triazole
CID 594447
3-(Phenylmethyl)-1H-1,2,4-triazol-5-amine
CID 1116697
7-Phenyl-1-(4H-1,2,4-triazol-3-yl)-heptan-1-one
CID 24950681
N-(2-phenylethyl)-2-(4H-1,2,4-triazol-3-yl)acetamide
CID 1263172
5-Phenethyl-1H-(1,2,4)triazol-3-ylamine
CID 1089053
1-Methyl-3-phenethyl-1,2,4-triazole
CID 374341
3-Phenyl-4H-(1,2,4)triazole, hydrochloride
CID 45048587
[3-(4H-1,2,4-triazol-3-yl)phenyl]methanamine
CID 54593596
5-dec-9-enyl-3-phenyl-1H-1,2,4-triazole
CID 25158090
1-{2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl}piperidine
CID 50954302

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2-phenylethyl)-1H-1,2,4-triazole (CID 10397257) is 5-(2-phenylethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-phenylethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-phenylethyl)-1H-1,2,4-triazole is c1ccc(CCc2ncn[nH]2)cc1.
What is the InChIKey of 5-(2-phenylethyl)-1H-1,2,4-triazole?
The InChIKey is CMIDWHYBJLVBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-4-9(5-3-1)6-7-10-11-8-12-13-10/h1-5,8H,6-7H2,(H,11,12,13).
What are the key properties of 5-(2-phenylethyl)-1H-1,2,4-triazole?
5-(2-phenylethyl)-1H-1,2,4-triazole has a molecular weight of 173.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 10397257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).