2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol

C14H20N4O — CID 81363740

IUPAC2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
SMILESCc1cccc([C@H](C)NCc2cn(CCO)nn2)c1
InChIInChI=1S/C14H20N4O/c1-11-4-3-5-13(8-11)12(2)15-9-14-10-18(6-7-19)17-16-14/h3-5,8,10,12,15,19H,6-7,9H2,1-2H3/t12-/m0/s1
InChIKeyNOLCPFCERRUCBE-LBPRGKRZSA-N
MW260.34 g/mol
LogP1.43
Rot. Bonds6

About 2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol

2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol (PubChem CID 81363740) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
PubChem CID81363740
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
SMILESCc1cccc([C@H](C)NCc2cn(CCO)nn2)c1
InChIInChI=1S/C14H20N4O/c1-11-4-3-5-13(8-11)12(2)15-9-14-10-18(6-7-19)17-16-14/h3-5,8,10,12,15,19H,6-7,9H2,1-2H3/t12-/m0/s1
InChIKeyNOLCPFCERRUCBE-LBPRGKRZSA-N
XLogP1.43
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]ethanol
CID 81351583
2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66268295
3-[4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81372814
2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
CID 81363715
2-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
CID 81371367
2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531
2-[4-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66270187
3-[4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81405616
2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide
CID 115460197
2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66270552
3-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81348534
3-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81367670

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol (CID 81363740) is 2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol is Cc1cccc([C@H](C)NCc2cn(CCO)nn2)c1.
What is the InChIKey of 2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol?
The InChIKey is NOLCPFCERRUCBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-4-3-5-13(8-11)12(2)15-9-14-10-18(6-7-19)17-16-14/h3-5,8,10,12,15,19H,6-7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol?
2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol has a molecular weight of 260.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 81363740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).