3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

C14H19N5O2 — CID 81094398

IUPAC3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCCOc1cc(N)cc(C(=O)NC(C)c2nncn2C)c1
InChIInChI=1S/C14H19N5O2/c1-4-21-12-6-10(5-11(15)7-12)14(20)17-9(2)13-18-16-8-19(13)3/h5-9H,4,15H2,1-3H3,(H,17,20)
InChIKeySIQVZBIQPJIKPL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.29
Rot. Bonds5

About 3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 81094398) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID81094398
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCCOc1cc(N)cc(C(=O)NC(C)c2nncn2C)c1
InChIInChI=1S/C14H19N5O2/c1-4-21-12-6-10(5-11(15)7-12)14(20)17-9(2)13-18-16-8-19(13)3/h5-9H,4,15H2,1-3H3,(H,17,20)
InChIKeySIQVZBIQPJIKPL-UHFFFAOYSA-N
XLogP1.29
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 81094398) is 3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is CCOc1cc(N)cc(C(=O)NC(C)c2nncn2C)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is SIQVZBIQPJIKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-21-12-6-10(5-11(15)7-12)14(20)17-9(2)13-18-16-8-19(13)3/h5-9H,4,15H2,1-3H3,(H,17,20).
What are the key properties of 3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 289.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 81094398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).