[3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine

C11H14N4O — CID 82568163

IUPAC[3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESNCc1nc(CCOc2ccccc2)n[nH]1
InChIInChI=1S/C11H14N4O/c12-8-11-13-10(14-15-11)6-7-16-9-4-2-1-3-5-9/h1-5H,6-8,12H2,(H,13,14,15)
InChIKeyOUJYVDRMLIJWNK-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.88
Rot. Bonds5

About [3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine

[3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine (PubChem CID 82568163) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine
PubChem CID82568163
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESNCc1nc(CCOc2ccccc2)n[nH]1
InChIInChI=1S/C11H14N4O/c12-8-11-13-10(14-15-11)6-7-16-9-4-2-1-3-5-9/h1-5H,6-8,12H2,(H,13,14,15)
InChIKeyOUJYVDRMLIJWNK-UHFFFAOYSA-N
XLogP0.88
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole
CID 61336343
4-amino-N-[[3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82568875
2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 98015664
[3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine
CID 54847277
[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79601055
2-methyl-4-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 62049822
3-[(3-propyl-1H-1,2,4-triazol-5-yl)methoxy]aniline
CID 63771862
3-[5-(phenylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine
CID 65143834
2,3-dimethyl-3-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65261860
3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole
CID 61337716
2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine
CID 79799508
2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid
CID 82168730

Frequently Asked Questions

What is the IUPAC name of [3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine?
The IUPAC name of [3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine (CID 82568163) is [3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine.
What is the SMILES notation for [3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine?
The canonical SMILES for [3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine is NCc1nc(CCOc2ccccc2)n[nH]1.
What is the InChIKey of [3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine?
The InChIKey is OUJYVDRMLIJWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-8-11-13-10(14-15-11)6-7-16-9-4-2-1-3-5-9/h1-5H,6-8,12H2,(H,13,14,15).
What are the key properties of [3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine?
[3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine has a molecular weight of 218.26 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine is sourced from PubChem (CID 82568163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).