1-[(1S)-1-phenylethyl]triazole

C10H11N3 — CID 175706857

IUPAC1-[(1S)-1-phenylethyl]triazole
SMILESC[C@@H](c1ccccc1)n1ccnn1
InChIInChI=1S/C10H11N3/c1-9(13-8-7-11-12-13)10-5-3-2-4-6-10/h2-9H,1H3/t9-/m0/s1
InChIKeyYRMNJICXVAFKAM-VIFPVBQESA-N
MW173.22 g/mol
LogP1.89
Rot. Bonds2

About 1-[(1S)-1-phenylethyl]triazole

1-[(1S)-1-phenylethyl]triazole (PubChem CID 175706857) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-[(1S)-1-phenylethyl]triazole.

Molecular Properties

Compound Name1-[(1S)-1-phenylethyl]triazole
PubChem CID175706857
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name1-[(1S)-1-phenylethyl]triazole
SMILESC[C@@H](c1ccccc1)n1ccnn1
InChIInChI=1S/C10H11N3/c1-9(13-8-7-11-12-13)10-5-3-2-4-6-10/h2-9H,1H3/t9-/m0/s1
InChIKeyYRMNJICXVAFKAM-VIFPVBQESA-N
XLogP1.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(1R)-1-phenylethyl]imidazole
CID 76960079
1-(1-phenylethyl)tetrazol-5-amine
CID 19981424
3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane
CID 145058285
2-[4-[(1S)-1-phenylethyl]-1,2,4-triazol-3-yl]ethanamine
CID 95223429
methanesulfonic acid;1-(1-phenylethyl)imidazole
CID 174969600
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
triazol-1-yl 3-phenylbutanoate
CID 174754212
2-[1-(1-phenylethyl)imidazol-2-yl]sulfanylethanamine
CID 19861385
(2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine
CID 99615717
3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine
CID 82228413
1-[(1S)-1-phenylethyl]imidazol-4-amine
CID 101471354
2-methyl-1-(1-phenylethyl)-4,5-dihydroimidazole
CID 70489579

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-phenylethyl]triazole?
The IUPAC name of 1-[(1S)-1-phenylethyl]triazole (CID 175706857) is 1-[(1S)-1-phenylethyl]triazole.
What is the SMILES notation for 1-[(1S)-1-phenylethyl]triazole?
The canonical SMILES for 1-[(1S)-1-phenylethyl]triazole is C[C@@H](c1ccccc1)n1ccnn1.
What is the InChIKey of 1-[(1S)-1-phenylethyl]triazole?
The InChIKey is YRMNJICXVAFKAM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11N3/c1-9(13-8-7-11-12-13)10-5-3-2-4-6-10/h2-9H,1H3/t9-/m0/s1.
What are the key properties of 1-[(1S)-1-phenylethyl]triazole?
1-[(1S)-1-phenylethyl]triazole has a molecular weight of 173.22 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-phenylethyl]triazole is sourced from PubChem (CID 175706857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).