4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline

C11H14N4O — CID 63771178

IUPAC4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline
SMILESCCn1ncnc1COc1ccc(N)cc1
InChIInChI=1S/C11H14N4O/c1-2-15-11(13-8-14-15)7-16-10-5-3-9(12)4-6-10/h3-6,8H,2,7,12H2,1H3
InChIKeyKAAKSQJBFGEPAP-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.46
Rot. Bonds4

About 4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline

4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline (PubChem CID 63771178) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline.

Molecular Properties

Compound Name4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline
PubChem CID63771178
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline
SMILESCCn1ncnc1COc1ccc(N)cc1
InChIInChI=1S/C11H14N4O/c1-2-15-11(13-8-14-15)7-16-10-5-3-9(12)4-6-10/h3-6,8H,2,7,12H2,1H3
InChIKeyKAAKSQJBFGEPAP-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79800710
2-chloro-4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]benzenecarbothioamide
CID 102724258
N-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79783662
(1S)-1-[4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-fluorophenyl]ethanol
CID 107720517
5-[(3-bromo-5-fluorophenoxy)methyl]-1-ethyl-1,2,4-triazole
CID 81331786
5-[(4-butan-2-ylphenoxy)methyl]-1-propyl-1,2,4-triazole
CID 107669021
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
CID 62694920
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
(1R)-1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
CID 79013808
1-[2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001774
[3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-5-fluorophenyl]boronic acid
CID 81331669
ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate
CID 122155317

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline?
The IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline (CID 63771178) is 4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline.
What is the SMILES notation for 4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline?
The canonical SMILES for 4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline is CCn1ncnc1COc1ccc(N)cc1.
What is the InChIKey of 4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline?
The InChIKey is KAAKSQJBFGEPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-15-11(13-8-14-15)7-16-10-5-3-9(12)4-6-10/h3-6,8H,2,7,12H2,1H3.
What are the key properties of 4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline?
4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline has a molecular weight of 218.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline is sourced from PubChem (CID 63771178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).