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

C6H9ClN4O2 — CID 147978263

IUPAC3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCCn1c(Cl)nn(C(=O)NC)c1=O
InChIInChI=1S/C6H9ClN4O2/c1-3-10-4(7)9-11(6(10)13)5(12)8-2/h3H2,1-2H3,(H,8,12)
InChIKeyISSFZKIDOSYHBX-UHFFFAOYSA-N
MW204.62 g/mol
LogP-0.09
Rot. Bonds1

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

3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide (PubChem CID 147978263) has the molecular formula C6H9ClN4O2 and a molecular weight of 204.62 g/mol. Its IUPAC name is 3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide
PubChem CID147978263
Molecular FormulaC6H9ClN4O2
Molecular Weight204.62 g/mol
Exact Mass204.04
IUPAC Name3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCCn1c(Cl)nn(C(=O)NC)c1=O
InChIInChI=1S/C6H9ClN4O2/c1-3-10-4(7)9-11(6(10)13)5(12)8-2/h3H2,1-2H3,(H,8,12)
InChIKeyISSFZKIDOSYHBX-UHFFFAOYSA-N
XLogP-0.09
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The IUPAC name of 3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide (CID 147978263) is 3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide is CCn1c(Cl)nn(C(=O)NC)c1=O.
What is the InChIKey of 3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The InChIKey is ISSFZKIDOSYHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4O2/c1-3-10-4(7)9-11(6(10)13)5(12)8-2/h3H2,1-2H3,(H,8,12).
What are the key properties of 3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide has a molecular weight of 204.62 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethyl-N-methyl-5-oxo-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 147978263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).