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

C15H18N6O — CID 95719859

IUPAC2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine
SMILESCOCCn1cnnc1[C@H](C)n1ccnc1-c1ccccn1
InChIInChI=1S/C15H18N6O/c1-12(14-19-18-11-20(14)9-10-22-2)21-8-7-17-15(21)13-5-3-4-6-16-13/h3-8,11-12H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyHOSFHSNYFLCANB-LBPRGKRZSA-N
MW298.35 g/mol
LogP1.79
Rot. Bonds6

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

2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine (PubChem CID 95719859) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine
PubChem CID95719859
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine
SMILESCOCCn1cnnc1[C@H](C)n1ccnc1-c1ccccn1
InChIInChI=1S/C15H18N6O/c1-12(14-19-18-11-20(14)9-10-22-2)21-8-7-17-15(21)13-5-3-4-6-16-13/h3-8,11-12H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyHOSFHSNYFLCANB-LBPRGKRZSA-N
XLogP1.79
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 95714266
2-(4-propyl-1,2,4-triazol-3-yl)pyridine
CID 115394967
4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole
CID 115393656
5-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 104643364
chloroosmium;bis(2-(1-methylimidazol-2-yl)pyridine);1-methyl-2-propan-2-ylimidazole;dichloride
CID 159092633
1-(2-methoxyethyl)-4-pyridin-2-ylindole
CID 141303499
2-(2-pyridin-2-ylimidazol-1-yl)ethyl N,N-dimethylcarbamate
CID 86799221
3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 116684388
3-(2-methoxyethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164775
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 126433181
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443313
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443312

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine?
The IUPAC name of 2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine (CID 95719859) is 2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine.
What is the SMILES notation for 2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine?
The canonical SMILES for 2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine is COCCn1cnnc1[C@H](C)n1ccnc1-c1ccccn1.
What is the InChIKey of 2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine?
The InChIKey is HOSFHSNYFLCANB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N6O/c1-12(14-19-18-11-20(14)9-10-22-2)21-8-7-17-15(21)13-5-3-4-6-16-13/h3-8,11-12H,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine?
2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine has a molecular weight of 298.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine is sourced from PubChem (CID 95719859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).