(1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine

C12H16N4O — CID 79013804

IUPAC(1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCc2ncnn2C)cc1
InChIInChI=1S/C12H16N4O/c1-9(13)10-3-5-11(6-4-10)17-7-12-14-8-15-16(12)2/h3-6,8-9H,7,13H2,1-2H3/t9-/m1/s1
InChIKeyFCVQGJNGYKAPOF-SECBINFHSA-N
MW232.29 g/mol
LogP1.41
Rot. Bonds4

About (1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine

(1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 79013804) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID79013804
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCc2ncnn2C)cc1
InChIInChI=1S/C12H16N4O/c1-9(13)10-3-5-11(6-4-10)17-7-12-14-8-15-16(12)2/h3-6,8-9H,7,13H2,1-2H3/t9-/m1/s1
InChIKeyFCVQGJNGYKAPOF-SECBINFHSA-N
XLogP1.41
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
ethyl 4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoate
CID 65416220
(1S)-1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 104862003
N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methanamine
CID 79775503
(1R)-1-[1-[(2-methyl-1,2,4-triazol-3-yl)methoxy]naphthalen-2-yl]ethanamine
CID 79013841
N-[2-(methylamino)propyl]-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 120825445
(1S)-1-[(2S)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonylpiperidin-2-yl]ethanamine
CID 124691051
[1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316582
(1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025613
5-[(4-butan-2-ylphenoxy)methyl]-1-propyl-1,2,4-triazole
CID 107669021
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine (CID 79013804) is (1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine is C[C@@H](N)c1ccc(OCc2ncnn2C)cc1.
What is the InChIKey of (1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is FCVQGJNGYKAPOF-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(13)10-3-5-11(6-4-10)17-7-12-14-8-15-16(12)2/h3-6,8-9H,7,13H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine?
(1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 232.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 79013804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).