2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol

C13H18N4O2 — CID 54895413

IUPAC2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol
SMILESCOc1cc(C(C)NCc2nncn2C)ccc1O
InChIInChI=1S/C13H18N4O2/c1-9(14-7-13-16-15-8-17(13)2)10-4-5-11(18)12(6-10)19-3/h4-6,8-9,14,18H,7H2,1-3H3
InChIKeyODIOUUOFPHORIA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.38
Rot. Bonds5

About 2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol

2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol (PubChem CID 54895413) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol
PubChem CID54895413
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol
SMILESCOc1cc(C(C)NCc2nncn2C)ccc1O
InChIInChI=1S/C13H18N4O2/c1-9(14-7-13-16-15-8-17(13)2)10-4-5-11(18)12(6-10)19-3/h4-6,8-9,14,18H,7H2,1-3H3
InChIKeyODIOUUOFPHORIA-UHFFFAOYSA-N
XLogP1.38
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]benzene-1,3-diol
CID 107706212
4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol
CID 54896086
1-(2-methoxy-5-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54895459
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
N,N-dimethyl-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]aniline
CID 54895563
1-(4-methoxynaphthalen-1-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 75382722
2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol
CID 61284476
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210959
4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
CID 43590855
4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol
CID 107229768

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol (CID 54895413) is 2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol is COc1cc(C(C)NCc2nncn2C)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol?
The InChIKey is ODIOUUOFPHORIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(14-7-13-16-15-8-17(13)2)10-4-5-11(18)12(6-10)19-3/h4-6,8-9,14,18H,7H2,1-3H3.
What are the key properties of 2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol?
2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol has a molecular weight of 262.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 54895413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).