2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol

C19H28N4O2 — CID 131914025

IUPAC2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol
SMILESCOc1ccccc1Cc1nc(CN(C)C2CCCC2)n(CCO)n1
InChIInChI=1S/C19H28N4O2/c1-22(16-8-4-5-9-16)14-19-20-18(21-23(19)11-12-24)13-15-7-3-6-10-17(15)25-2/h3,6-7,10,16,24H,4-5,8-9,11-14H2,1-2H3
InChIKeyGFVGCSIKUIMVMH-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.24
Rot. Bonds8

About 2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol

2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 131914025) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID131914025
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol
SMILESCOc1ccccc1Cc1nc(CN(C)C2CCCC2)n(CCO)n1
InChIInChI=1S/C19H28N4O2/c1-22(16-8-4-5-9-16)14-19-20-18(21-23(19)11-12-24)13-15-7-3-6-10-17(15)25-2/h3,6-7,10,16,24H,4-5,8-9,11-14H2,1-2H3
InChIKeyGFVGCSIKUIMVMH-UHFFFAOYSA-N
XLogP2.24
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol with MolForge

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Related Compounds

(1R,2R,4S)-2-amino-4-[2-(2-hydroxyethyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol
CID 155509079
2-[3-[(2-methoxyphenyl)methyl]-5-[1-(oxan-4-yl)piperidin-3-yl]-1,2,4-triazol-1-yl]ethanol
CID 164692775
2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
CID 82974737
2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662808
4-[2-cyclohexyl-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]butanoic acid
CID 74235920
4-[3-[(2-methoxyphenyl)methyl]-5-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]-1-methylpiperidine
CID 72860996
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
3-[(2-methoxyphenyl)methyl]-5-[(2R)-oxan-2-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 97444797
trans-(1R,2R)-2-[5-(4-aminocyclohexyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]cyclohexan-1-ol
CID 163312979
2-[(2-methoxyphenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 82567587
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622
[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]methanol
CID 115070027

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol (CID 131914025) is 2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol is COc1ccccc1Cc1nc(CN(C)C2CCCC2)n(CCO)n1.
What is the InChIKey of 2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is GFVGCSIKUIMVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-22(16-8-4-5-9-16)14-19-20-18(21-23(19)11-12-24)13-15-7-3-6-10-17(15)25-2/h3,6-7,10,16,24H,4-5,8-9,11-14H2,1-2H3.
What are the key properties of 2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol?
2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 344.46 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[cyclopentyl(methyl)amino]methyl]-3-[(2-methoxyphenyl)methyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 131914025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).