2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine

C13H18N4O — CID 98015664

IUPAC2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCn1nc(CCOc2ccccc2)nc1CCN
InChIInChI=1S/C13H18N4O/c1-17-13(7-9-14)15-12(16-17)8-10-18-11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3
InChIKeyHOZBPELZDYUQQC-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.94
Rot. Bonds6

About 2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine

2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 98015664) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID98015664
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCn1nc(CCOc2ccccc2)nc1CCN
InChIInChI=1S/C13H18N4O/c1-17-13(7-9-14)15-12(16-17)8-10-18-11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3
InChIKeyHOZBPELZDYUQQC-UHFFFAOYSA-N
XLogP0.94
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]ethanamine
CID 96660424
2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine
CID 98017069
[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methanamine
CID 82472130
3-[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]propanoic acid
CID 98017098
3-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline
CID 82475291
4-[2-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)ethoxy]aniline
CID 96665204
2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine
CID 82467863
[3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 82568163
2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline
CID 82475294
[5-[2-(3-methoxyphenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96662789
2-[5-(4-ethoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662776
2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665640

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine (CID 98015664) is 2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine is Cn1nc(CCOc2ccccc2)nc1CCN.
What is the InChIKey of 2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is HOZBPELZDYUQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17-13(7-9-14)15-12(16-17)8-10-18-11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3.
What are the key properties of 2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine?
2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 246.31 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 98015664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).