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

C11H13N5O2 — CID 112557906

IUPAC5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine
SMILESCCc1c(N)nnn1-c1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O2/c1-3-8-11(12)13-14-15(8)10-6-7(2)4-5-9(10)16(17)18/h4-6H,3,12H2,1-2H3
InChIKeySQWDPZVUOZVUOT-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.63
Rot. Bonds3

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

5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine (PubChem CID 112557906) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine
PubChem CID112557906
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine
SMILESCCc1c(N)nnn1-c1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O2/c1-3-8-11(12)13-14-15(8)10-6-7(2)4-5-9(10)16(17)18/h4-6H,3,12H2,1-2H3
InChIKeySQWDPZVUOZVUOT-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-methyl-5-nitrophenyl)triazol-4-amine
CID 79507650
5-ethyl-1-(2-fluoro-4-nitrophenyl)triazol-4-amine
CID 79508837
1-(2-nitrophenyl)-5-propyltriazol-4-amine
CID 79508399
1-(3-methyl-4-nitrophenyl)-5-propyltriazol-4-amine
CID 79508306
5-ethyl-1-(2-methoxy-5-nitrophenyl)triazol-4-amine
CID 79508505
5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine
CID 79508197
4-(chloromethyl)-1-(5-methyl-2-nitrophenyl)triazole
CID 112557874
4-(4-amino-5-propyltriazol-1-yl)-3-nitrobenzonitrile
CID 79509056
1-(3-chloro-4-nitrophenyl)-5-propyltriazol-4-amine
CID 82866156
5-amino-1-(4-methyl-2-nitrophenyl)triazole-4-carboxamide
CID 10539377
1-(2,4-difluoro-6-nitrophenyl)-5-propyltriazol-4-amine
CID 81313216
2-[1-(5-methyl-2-nitrophenyl)triazol-4-yl]propan-2-amine
CID 112557861

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine?
The IUPAC name of 5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine (CID 112557906) is 5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine?
The canonical SMILES for 5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine is CCc1c(N)nnn1-c1cc(C)ccc1[N+](=O)[O-].
What is the InChIKey of 5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine?
The InChIKey is SQWDPZVUOZVUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-3-8-11(12)13-14-15(8)10-6-7(2)4-5-9(10)16(17)18/h4-6H,3,12H2,1-2H3.
What are the key properties of 5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine?
5-ethyl-1-(5-methyl-2-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-(5-methyl-2-nitrophenyl)triazol-4-amine is sourced from PubChem (CID 112557906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).