3,4-bis(2-phenylethyl)-1,2,4-triazole

C18H19N3 — CID 141167257

IUPAC3,4-bis(2-phenylethyl)-1,2,4-triazole
SMILESc1ccc(CCc2nncn2CCc2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-3-7-16(8-4-1)11-12-18-20-19-15-21(18)14-13-17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyVFMQUNBXYKCCCK-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.31
Rot. Bonds6

About 3,4-bis(2-phenylethyl)-1,2,4-triazole

3,4-bis(2-phenylethyl)-1,2,4-triazole (PubChem CID 141167257) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3,4-bis(2-phenylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3,4-bis(2-phenylethyl)-1,2,4-triazole
PubChem CID141167257
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3,4-bis(2-phenylethyl)-1,2,4-triazole
SMILESc1ccc(CCc2nncn2CCc2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-3-7-16(8-4-1)11-12-18-20-19-15-21(18)14-13-17-9-5-2-6-10-17/h1-10,15H,11-14H2
InChIKeyVFMQUNBXYKCCCK-UHFFFAOYSA-N
XLogP3.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-3-(2-phenylethyl)-1,2,4-triazole
CID 141167274
3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 141222619
4-(2-phenylethyl)-3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]disulfanyl]-1,2,4-triazole
CID 20726524
4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole
CID 141167255
3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 141167256
N'-phenyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxamide
CID 91767891
2-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propane-1-sulfonamide
CID 131914611
(2S)-2-amino-3-hydroxy-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]propanamide
CID 118772148
4,4,4-trifluoro-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]butanamide
CID 118775336
5-oxo-1-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-3-carboxylic acid
CID 50978202
1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]indazole-3-carboxamide
CID 131924675
N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide
CID 118780297

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-phenylethyl)-1,2,4-triazole?
The IUPAC name of 3,4-bis(2-phenylethyl)-1,2,4-triazole (CID 141167257) is 3,4-bis(2-phenylethyl)-1,2,4-triazole.
What is the SMILES notation for 3,4-bis(2-phenylethyl)-1,2,4-triazole?
The canonical SMILES for 3,4-bis(2-phenylethyl)-1,2,4-triazole is c1ccc(CCc2nncn2CCc2ccccc2)cc1.
What is the InChIKey of 3,4-bis(2-phenylethyl)-1,2,4-triazole?
The InChIKey is VFMQUNBXYKCCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-3-7-16(8-4-1)11-12-18-20-19-15-21(18)14-13-17-9-5-2-6-10-17/h1-10,15H,11-14H2.
What are the key properties of 3,4-bis(2-phenylethyl)-1,2,4-triazole?
3,4-bis(2-phenylethyl)-1,2,4-triazole has a molecular weight of 277.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-phenylethyl)-1,2,4-triazole is sourced from PubChem (CID 141167257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).