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

C11H14N4O — CID 82472180

IUPAC2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine
SMILESCn1cnnc1-c1cccc(OCCN)c1
InChIInChI=1S/C11H14N4O/c1-15-8-13-14-11(15)9-3-2-4-10(7-9)16-6-5-12/h2-4,7-8H,5-6,12H2,1H3
InChIKeyFCWPZVRPFZYQCI-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.82
Rot. Bonds4

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

2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine (PubChem CID 82472180) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine
PubChem CID82472180
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine
SMILESCn1cnnc1-c1cccc(OCCN)c1
InChIInChI=1S/C11H14N4O/c1-15-8-13-14-11(15)9-3-2-4-10(7-9)16-6-5-12/h2-4,7-8H,5-6,12H2,1H3
InChIKeyFCWPZVRPFZYQCI-UHFFFAOYSA-N
XLogP0.82
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(5,6-dimethyl-1,2,4-triazin-3-yl)phenoxy]ethanamine
CID 82478568
2-[3-(3-ethyl-1,2,4-triazol-4-yl)phenoxy]ethanamine
CID 96687117
2-[3-(tetrazol-1-yl)phenoxy]ethanamine
CID 45157260
4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
CID 113300999
4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 80542568
ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen
CID 170739298
2-[3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethanamine
CID 96663966
N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 61326180
2-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 63188193
N-tert-butyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 58709894
3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline
CID 62761649
4-ethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39032770

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine?
The IUPAC name of 2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine (CID 82472180) is 2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine.
What is the SMILES notation for 2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine?
The canonical SMILES for 2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine is Cn1cnnc1-c1cccc(OCCN)c1.
What is the InChIKey of 2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine?
The InChIKey is FCWPZVRPFZYQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-8-13-14-11(15)9-3-2-4-10(7-9)16-6-5-12/h2-4,7-8H,5-6,12H2,1H3.
What are the key properties of 2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine?
2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine has a molecular weight of 218.26 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine is sourced from PubChem (CID 82472180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).