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

C11H13N5O2 — CID 79507650

IUPAC5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine
SMILESCCc1c(N)nnn1-c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C11H13N5O2/c1-3-9-11(12)13-14-15(9)10-6-8(16(17)18)5-4-7(10)2/h4-6H,3,12H2,1-2H3
InChIKeyNGACETLSIPOXDQ-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.63
Rot. Bonds3

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

5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine (PubChem CID 79507650) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine
PubChem CID79507650
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine
SMILESCCc1c(N)nnn1-c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C11H13N5O2/c1-3-9-11(12)13-14-15(9)10-6-8(16(17)18)5-4-7(10)2/h4-6H,3,12H2,1-2H3
InChIKeyNGACETLSIPOXDQ-UHFFFAOYSA-N
XLogP1.63
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-5-nitrophenyl)triazol-4-amine
CID 79508505
5-ethyl-1-(2-fluoro-4-nitrophenyl)triazol-4-amine
CID 79508837
5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine
CID 112557906
[5-butyl-1-(2-methyl-5-nitrophenyl)triazol-4-yl]methanamine
CID 82197730
5-butyl-1-(2-methyl-5-nitrophenyl)triazole-4-carbaldehyde
CID 82197695
propan-2-yl 5-amino-1-(2-methyl-5-nitrophenyl)triazole-4-carboxylate
CID 82197748
1-(5-bromo-2-methylphenyl)-5-propyltriazol-4-amine
CID 79507972
5-ethyl-1-(2-fluoro-5-nitrophenyl)triazole-4-carboxylic acid
CID 43381065
[4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine
CID 94971674
5-ethyl-1-(2-methoxy-5-nitrophenyl)triazole-4-carboxylic acid
CID 43381116
1-(3-methyl-4-nitrophenyl)-5-propyltriazol-4-amine
CID 79508306
1-(2-nitrophenyl)-5-propyltriazol-4-amine
CID 79508399

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine?
The IUPAC name of 5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine (CID 79507650) is 5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine?
The canonical SMILES for 5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine is CCc1c(N)nnn1-c1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine?
The InChIKey is NGACETLSIPOXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-3-9-11(12)13-14-15(9)10-6-8(16(17)18)5-4-7(10)2/h4-6H,3,12H2,1-2H3.
What are the key properties of 5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine?
5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine has a molecular weight of 247.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine is sourced from PubChem (CID 79507650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).