5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine

C11H13N5O3 — CID 79508505

IUPAC5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine
SMILESCCc1c(N)nnn1-c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C11H13N5O3/c1-3-8-11(12)13-14-15(8)9-6-7(16(17)18)4-5-10(9)19-2/h4-6H,3,12H2,1-2H3
InChIKeyZGHBOUBCYZPSOU-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.33
Rot. Bonds4

About 5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine

5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine (PubChem CID 79508505) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine
PubChem CID79508505
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine
SMILESCCc1c(N)nnn1-c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C11H13N5O3/c1-3-8-11(12)13-14-15(8)9-6-7(16(17)18)4-5-10(9)19-2/h4-6H,3,12H2,1-2H3
InChIKeyZGHBOUBCYZPSOU-UHFFFAOYSA-N
XLogP1.33
TPSA109.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine
CID 79507650
5-ethyl-1-(2-methoxy-5-nitrophenyl)triazole-4-carboxylic acid
CID 43381116
5-ethyl-1-(2-fluoro-4-nitrophenyl)triazol-4-amine
CID 79508837
[1-(2-methoxy-5-nitrophenyl)-5-methyltriazol-4-yl]methanol
CID 82197517
[1-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)triazol-4-yl]methanamine
CID 94937935
5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine
CID 112557906
3-[1-(2-methoxy-5-nitrophenyl)tetrazol-5-yl]aniline
CID 94971700
[1-(2-methoxy-5-nitrophenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760269
1-(2-methoxy-5-nitrophenyl)-4-propylpiperazine
CID 167339797
5-ethyl-1-(2-fluoro-5-nitrophenyl)triazole-4-carboxylic acid
CID 43381065
1-(2-methoxy-5-nitrophenyl)propan-1-amine
CID 43825597
2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
CID 80938897

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine?
The IUPAC name of 5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine (CID 79508505) is 5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine?
The canonical SMILES for 5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine is CCc1c(N)nnn1-c1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine?
The InChIKey is ZGHBOUBCYZPSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-3-8-11(12)13-14-15(8)9-6-7(16(17)18)4-5-10(9)19-2/h4-6H,3,12H2,1-2H3.
What are the key properties of 5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine?
5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine has a molecular weight of 263.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine is sourced from PubChem (CID 79508505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).