4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide

C6H10N4O3 — CID 22278482

IUPAC4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCCn1c(OC)nn(C(N)=O)c1=O
InChIInChI=1S/C6H10N4O3/c1-3-9-5(13-2)8-10(4(7)11)6(9)12/h3H2,1-2H3,(H2,7,11)
InChIKeyPYVHNEOSELCMPA-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.00
Rot. Bonds2

About 4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide

4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide (PubChem CID 22278482) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide
PubChem CID22278482
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCCn1c(OC)nn(C(N)=O)c1=O
InChIInChI=1S/C6H10N4O3/c1-3-9-5(13-2)8-10(4(7)11)6(9)12/h3H2,1-2H3,(H2,7,11)
InChIKeyPYVHNEOSELCMPA-UHFFFAOYSA-N
XLogP-1.00
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Ethyl-5-methoxy-2-methyl-1,2,4-triazol-3-one
CID 18737983
N-(4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl chloride
CID 19029962
4-ethyl-3-methoxy-1H-1,2,4-triazol-5-one
CID 23358473
N-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
CID 54066326
4-Ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
CID 82841789
5-Oxo-4-propyl-1,2,4-triazole-1-carboxamide
CID 141036700
3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide
CID 147978263
5-Amino-2-methyl-4-propyl-1,2,4-triazol-3-one
CID 82841338
5-Amino-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 82841701
4-Cyclopropyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide
CID 141906884

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide?
The IUPAC name of 4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide (CID 22278482) is 4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide is CCn1c(OC)nn(C(N)=O)c1=O.
What is the InChIKey of 4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide?
The InChIKey is PYVHNEOSELCMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-3-9-5(13-2)8-10(4(7)11)6(9)12/h3H2,1-2H3,(H2,7,11).
What are the key properties of 4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide?
4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide has a molecular weight of 186.17 g/mol, XLogP of -1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 22278482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).