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

C7H12N4O3 — CID 54066326

IUPACN-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCCNC(=O)n1nc(OC)n(C)c1=O
InChIInChI=1S/C7H12N4O3/c1-4-8-5(12)11-7(13)10(2)6(9-11)14-3/h4H2,1-3H3,(H,8,12)
InChIKeyMDGAIYSXZPWJSJ-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.83
Rot. Bonds2

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

N-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide (PubChem CID 54066326) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is N-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
PubChem CID54066326
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC NameN-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCCNC(=O)n1nc(OC)n(C)c1=O
InChIInChI=1S/C7H12N4O3/c1-4-8-5(12)11-7(13)10(2)6(9-11)14-3/h4H2,1-3H3,(H,8,12)
InChIKeyMDGAIYSXZPWJSJ-UHFFFAOYSA-N
XLogP-0.83
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide
CID 14404855
N,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
CID 15055966
4-Ethyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxamide
CID 22278482
4-Ethyl-2-methyl-5-(methylamino)-1,2,4-triazol-3-one
CID 82841789
3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide
CID 89069884
5-oxo-N-propan-2-yl-4H-1,2,4-triazole-1-carboxamide
CID 137155159
3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide
CID 147978263
2-(1-aminoethyl)-4H-1,2,4-triazol-3-one
CID 152789783
4-Ethyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one
CID 82840820
5-(Ethylamino)-2,4-dimethyl-1,2,4-triazol-3-one
CID 82841791
3-(dimethylamino)-N-ethyl-4-methyl-3H-1,2,4-triazole-2-carboxamide
CID 130014556

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide (CID 54066326) is N-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide is CCNC(=O)n1nc(OC)n(C)c1=O.
What is the InChIKey of N-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The InChIKey is MDGAIYSXZPWJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-4-8-5(12)11-7(13)10(2)6(9-11)14-3/h4H2,1-3H3,(H,8,12).
What are the key properties of N-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
N-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide has a molecular weight of 200.20 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 54066326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).