N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide

C6H9N5O2 — CID 78968249

IUPACN-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cn[nH]n1
InChIInChI=1S/C6H9N5O2/c1-11(3-5(7)12)6(13)4-2-8-10-9-4/h2H,3H2,1H3,(H2,7,12)(H,8,9,10)
InChIKeyAVOOKEMAKBPYRJ-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.64
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide

N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide (PubChem CID 78968249) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide
PubChem CID78968249
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC NameN-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cn[nH]n1
InChIInChI=1S/C6H9N5O2/c1-11(3-5(7)12)6(13)4-2-8-10-9-4/h2H,3H2,1H3,(H2,7,12)(H,8,9,10)
InChIKeyAVOOKEMAKBPYRJ-UHFFFAOYSA-N
XLogP-1.64
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2H-triazole-4-carboxamide
CID 112733475
N-(2-bromopropyl)-N-methyl-2H-triazole-4-carboxamide
CID 80665711
N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide
CID 112698098
N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide
CID 112733912
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2H-triazole-4-carboxamide
CID 112732797
N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide
CID 115649346
N-methyl-N-phenyl-2H-triazole-4-carboxamide
CID 78968210
N-(3,5-dimethylphenyl)-N-methyl-2H-triazole-4-carboxamide
CID 47356365
N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide
CID 79036798
N-methyl-N-(3-phenoxypropyl)-2H-triazole-4-carboxamide
CID 112733409
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
CID 112732793
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
CID 47335197

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide (CID 78968249) is N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide is CN(CC(N)=O)C(=O)c1cn[nH]n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide?
The InChIKey is AVOOKEMAKBPYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-11(3-5(7)12)6(13)4-2-8-10-9-4/h2H,3H2,1H3,(H2,7,12)(H,8,9,10).
What are the key properties of N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 78968249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).