3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine

C20H20N6 — CID 95455784

IUPAC3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESC[C@@H](c1ccccc1)c1nccn1CCc1nc(-c2cccnc2)n[nH]1
InChIInChI=1S/C20H20N6/c1-15(16-6-3-2-4-7-16)20-22-11-13-26(20)12-9-18-23-19(25-24-18)17-8-5-10-21-14-17/h2-8,10-11,13-15H,9,12H2,1H3,(H,23,24,25)/t15-/m0/s1
InChIKeyRJIIQXRJJPFXBI-HNNXBMFYSA-N
MW344.42 g/mol
LogP3.46
Rot. Bonds6

About 3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine

3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 95455784) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID95455784
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESC[C@@H](c1ccccc1)c1nccn1CCc1nc(-c2cccnc2)n[nH]1
InChIInChI=1S/C20H20N6/c1-15(16-6-3-2-4-7-16)20-22-11-13-26(20)12-9-18-23-19(25-24-18)17-8-5-10-21-14-17/h2-8,10-11,13-15H,9,12H2,1H3,(H,23,24,25)/t15-/m0/s1
InChIKeyRJIIQXRJJPFXBI-HNNXBMFYSA-N
XLogP3.46
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine with MolForge

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Related Compounds

5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56863914
3-[5-(2-bromoethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 123335634
3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 56871065
7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one
CID 39834328
2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 73440586
N-[2-[2-[(1R)-1-phenylethyl]imidazol-1-yl]ethyl]acetamide
CID 95455710
2-hydroxy-4-methylsulfanyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 77093837
2-ethyl-4-[1-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]imidazol-2-yl]pyrimidine
CID 56878605
2-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]pyridine
CID 95192246
5-oxo-5-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pentanoic acid
CID 123409970
2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 72918252
3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 50949722

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine (CID 95455784) is 3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine is C[C@@H](c1ccccc1)c1nccn1CCc1nc(-c2cccnc2)n[nH]1.
What is the InChIKey of 3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is RJIIQXRJJPFXBI-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N6/c1-15(16-6-3-2-4-7-16)20-22-11-13-26(20)12-9-18-23-19(25-24-18)17-8-5-10-21-14-17/h2-8,10-11,13-15H,9,12H2,1H3,(H,23,24,25)/t15-/m0/s1.
What are the key properties of 3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine?
3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 344.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 95455784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).