2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol

C13H17ClN4O2 — CID 103292077

IUPAC2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol
SMILESCOc1cccc(Cl)c1CNCc1cn(CCO)nn1
InChIInChI=1S/C13H17ClN4O2/c1-20-13-4-2-3-12(14)11(13)8-15-7-10-9-18(5-6-19)17-16-10/h2-4,9,15,19H,5-8H2,1H3
InChIKeyWVQGQUUWYQOELI-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.22
Rot. Bonds7

About 2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol

2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol (PubChem CID 103292077) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol
PubChem CID103292077
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol
SMILESCOc1cccc(Cl)c1CNCc1cn(CCO)nn1
InChIInChI=1S/C13H17ClN4O2/c1-20-13-4-2-3-12(14)11(13)8-15-7-10-9-18(5-6-19)17-16-10/h2-4,9,15,19H,5-8H2,1H3
InChIKeyWVQGQUUWYQOELI-UHFFFAOYSA-N
XLogP1.22
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol
CID 66269596
2-[4-[(prop-2-ynylamino)methyl]triazol-1-yl]ethanol
CID 66270343
2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol
CID 66269585
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 115634860
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115634960
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954500
3-[4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268557
3-[4-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81389472
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
2-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]ethanol
CID 104759404
N-[(2-chloro-6-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 115634762
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-3-methoxybenzonitrile
CID 107466645

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol (CID 103292077) is 2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol is COc1cccc(Cl)c1CNCc1cn(CCO)nn1.
What is the InChIKey of 2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol?
The InChIKey is WVQGQUUWYQOELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-20-13-4-2-3-12(14)11(13)8-15-7-10-9-18(5-6-19)17-16-10/h2-4,9,15,19H,5-8H2,1H3.
What are the key properties of 2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol?
2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol has a molecular weight of 296.76 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 103292077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).