2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine

C10H11ClN4O — CID 79873164

IUPAC2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine
SMILESCCOc1nc(N)n(-c2ccccc2Cl)n1
InChIInChI=1S/C10H11ClN4O/c1-2-16-10-13-9(12)15(14-10)8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,13,14)
InChIKeyBWJAGMBMWNCJSL-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.90
Rot. Bonds3

About 2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine

2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine (PubChem CID 79873164) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine
PubChem CID79873164
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine
SMILESCCOc1nc(N)n(-c2ccccc2Cl)n1
InChIInChI=1S/C10H11ClN4O/c1-2-16-10-13-9(12)15(14-10)8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,13,14)
InChIKeyBWJAGMBMWNCJSL-UHFFFAOYSA-N
XLogP1.90
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-O-chlorophenyl tetrazole
CID 323184
1-(2-chlorophenyl)-1H-1,2,4-triazol-5-amine
CID 62679811
1-(4-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine
CID 24972887
1-(2,6-Dichlorophenyl)-3-fluoro-5-methoxy-1,2,4-triazole
CID 57094903
1-(2,6-Dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole
CID 57181700
1-(2-Chloro-4-fluorophenyl)tetrazol-5-amine
CID 79506308
1-(3-Chloro-5-fluorophenyl)-1,2,4-triazole-3,5-diamine
CID 90030641
1-(2-Chloro-3-fluorophenyl)tetrazol-5-amine
CID 141501818
N,1-bis(2-chlorophenyl)tetrazol-5-amine
CID 53381978
N-(tert-butyl)-1-(2-chlorophenyl)-1H-tetrazol-5-amine
CID 168329065
2-(4-Chloro-3-fluorophenyl)-5-methoxy-1,2,4-triazol-3-amine
CID 79872271
2-(4-Chloro-3-fluorophenyl)-5-ethoxy-1,2,4-triazol-3-amine
CID 79872362

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine?
The IUPAC name of 2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine (CID 79873164) is 2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine is CCOc1nc(N)n(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine?
The InChIKey is BWJAGMBMWNCJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-2-16-10-13-9(12)15(14-10)8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,13,14).
What are the key properties of 2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine?
2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine has a molecular weight of 238.68 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-ethoxy-1,2,4-triazol-3-amine is sourced from PubChem (CID 79873164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).