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

C10H12N4O — CID 62677754

IUPAC3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline
SMILESNc1cccc(OCCn2cnnc2)c1
InChIInChI=1S/C10H12N4O/c11-9-2-1-3-10(6-9)15-5-4-14-7-12-13-8-14/h1-3,6-8H,4-5,11H2
InChIKeyDISYMNHIUIVFMF-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.94
Rot. Bonds4

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

3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline (PubChem CID 62677754) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline
PubChem CID62677754
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline
SMILESNc1cccc(OCCn2cnnc2)c1
InChIInChI=1S/C10H12N4O/c11-9-2-1-3-10(6-9)15-5-4-14-7-12-13-8-14/h1-3,6-8H,4-5,11H2
InChIKeyDISYMNHIUIVFMF-UHFFFAOYSA-N
XLogP0.94
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline
CID 82222384
3-[2-(5-propan-2-yltriazol-1-yl)ethoxy]aniline
CID 82222471
3-(3-pyrazol-1-ylpropoxy)aniline
CID 43174290
3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
CID 43174249
3-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline
CID 82475291
3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline
CID 43365571
5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734464
1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one
CID 60875846
3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]aniline
CID 43581101
3-[3-(1,3-dihydroisoindol-2-yl)propoxy]aniline
CID 62204800
3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline
CID 84759825
3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propoxy]aniline
CID 62128994

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline?
The IUPAC name of 3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline (CID 62677754) is 3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline.
What is the SMILES notation for 3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline?
The canonical SMILES for 3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline is Nc1cccc(OCCn2cnnc2)c1.
What is the InChIKey of 3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline?
The InChIKey is DISYMNHIUIVFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-9-2-1-3-10(6-9)15-5-4-14-7-12-13-8-14/h1-3,6-8H,4-5,11H2.
What are the key properties of 3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline?
3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline has a molecular weight of 204.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline is sourced from PubChem (CID 62677754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).