N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide

C12H13N5O3 — CID 108529879

IUPACN-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C12H13N5O3/c1-2-20-9-6-4-3-5-8(9)15-10(18)11(19)16-12-13-7-14-17-12/h3-7H,2H2,1H3,(H,15,18)(H2,13,14,16,17,19)
InChIKeyQCZGPQSLENLRGA-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.78
Rot. Bonds4

About N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide

N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide (PubChem CID 108529879) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
PubChem CID108529879
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC NameN-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C12H13N5O3/c1-2-20-9-6-4-3-5-8(9)15-10(18)11(19)16-12-13-7-14-17-12/h3-7H,2H2,1H3,(H,15,18)(H2,13,14,16,17,19)
InChIKeyQCZGPQSLENLRGA-UHFFFAOYSA-N
XLogP0.78
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-ethoxyphenyl)-N',N'-dipropyloxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The IUPAC name of N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide (CID 108529879) is N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide is CCOc1ccccc1NC(=O)C(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The InChIKey is QCZGPQSLENLRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-2-20-9-6-4-3-5-8(9)15-10(18)11(19)16-12-13-7-14-17-12/h3-7H,2H2,1H3,(H,15,18)(H2,13,14,16,17,19).
What are the key properties of N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide has a molecular weight of 275.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide is sourced from PubChem (CID 108529879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).