N,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide

C9H17N5O2 — CID 15055966

IUPACN,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCCN(CC)C(=O)n1nc(NC)n(C)c1=O
InChIInChI=1S/C9H17N5O2/c1-5-13(6-2)9(16)14-8(15)12(4)7(10-3)11-14/h5-6H2,1-4H3,(H,10,11)
InChIKeyIOLSEEXXTNOCLM-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.07
Rot. Bonds3

About N,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide

N,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide (PubChem CID 15055966) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
PubChem CID15055966
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC NameN,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCCN(CC)C(=O)n1nc(NC)n(C)c1=O
InChIInChI=1S/C9H17N5O2/c1-5-13(6-2)9(16)14-8(15)12(4)7(10-3)11-14/h5-6H2,1-4H3,(H,10,11)
InChIKeyIOLSEEXXTNOCLM-UHFFFAOYSA-N
XLogP-0.07
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
The IUPAC name of N,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide (CID 15055966) is N,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide is CCN(CC)C(=O)n1nc(NC)n(C)c1=O.
What is the InChIKey of N,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
The InChIKey is IOLSEEXXTNOCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-5-13(6-2)9(16)14-8(15)12(4)7(10-3)11-14/h5-6H2,1-4H3,(H,10,11).
What are the key properties of N,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
N,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide has a molecular weight of 227.27 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 15055966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).