3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide

C11H21N5O2 — CID 19739581

IUPAC3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCN(C)c1nc(=O)n(C(=O)NCC(C)(C)C)n1C
InChIInChI=1S/C11H21N5O2/c1-11(2,3)7-12-9(17)16-10(18)13-8(14(4)5)15(16)6/h7H2,1-6H3,(H,12,17)
InChIKeyCUEDJHQOJOYCBD-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.25
Rot. Bonds2

About 3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide

3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide (PubChem CID 19739581) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide
PubChem CID19739581
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCN(C)c1nc(=O)n(C(=O)NCC(C)(C)C)n1C
InChIInChI=1S/C11H21N5O2/c1-11(2,3)7-12-9(17)16-10(18)13-8(14(4)5)15(16)6/h7H2,1-6H3,(H,12,17)
InChIKeyCUEDJHQOJOYCBD-UHFFFAOYSA-N
XLogP0.25
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide (CID 19739581) is 3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide is CN(C)c1nc(=O)n(C(=O)NCC(C)(C)C)n1C.
What is the InChIKey of 3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The InChIKey is CUEDJHQOJOYCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-11(2,3)7-12-9(17)16-10(18)13-8(14(4)5)15(16)6/h7H2,1-6H3,(H,12,17).
What are the key properties of 3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 19739581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).