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

C12H16N4O — CID 54896086

IUPAC4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol
SMILESCC(NCc1nncn1C)c1ccc(O)cc1
InChIInChI=1S/C12H16N4O/c1-9(10-3-5-11(17)6-4-10)13-7-12-15-14-8-16(12)2/h3-6,8-9,13,17H,7H2,1-2H3
InChIKeyJUDFHDVHHXPIHI-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.37
Rot. Bonds4

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

4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol (PubChem CID 54896086) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol
PubChem CID54896086
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol
SMILESCC(NCc1nncn1C)c1ccc(O)cc1
InChIInChI=1S/C12H16N4O/c1-9(10-3-5-11(17)6-4-10)13-7-12-15-14-8-16(12)2/h3-6,8-9,13,17H,7H2,1-2H3
InChIKeyJUDFHDVHHXPIHI-UHFFFAOYSA-N
XLogP1.37
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]benzene-1,3-diol
CID 107706212
N,N-dimethyl-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]aniline
CID 54895563
2-methoxy-4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol
CID 54895413
1-(2-methylpyrazol-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 106757633
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpropan-1-amine
CID 54896093
4-[1-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]phenol
CID 112668646
1-(3-methyl-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 61004796
4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol
CID 106895349
N'-hydroxy-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propanimidamide
CID 77028651
6-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 61004323
(1R)-1-(5-bromo-2-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 97230007
1-(1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54896039

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol?
The IUPAC name of 4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol (CID 54896086) is 4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol is CC(NCc1nncn1C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol?
The InChIKey is JUDFHDVHHXPIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(10-3-5-11(17)6-4-10)13-7-12-15-14-8-16(12)2/h3-6,8-9,13,17H,7H2,1-2H3.
What are the key properties of 4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol?
4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol has a molecular weight of 232.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 54896086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).