N,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C7H12N4O2 — CID 136832052

IUPACN,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCCN(CC)C(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-3-11(4-2)6(12)5-8-7(13)10-9-5/h3-4H2,1-2H3,(H2,8,9,10,13)
InChIKeyFZDJAWUENRGGDP-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.42
Rot. Bonds3

About N,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136832052) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is N,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136832052
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC NameN,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCCN(CC)C(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-3-11(4-2)6(12)5-8-7(13)10-9-5/h3-4H2,1-2H3,(H2,8,9,10,13)
InChIKeyFZDJAWUENRGGDP-UHFFFAOYSA-N
XLogP-0.42
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Dimethylamino-6-azauracil
CID 267906
N-(2-fluoroethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137262828
6-[methyl-[2-(methylamino)ethyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 64083020
N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 136596363
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 136951777
N,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137030761
N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137274277
N-(2,2-dimethylpropyl)-N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 140370213
N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 142157801
1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 155646204
1,4-Dimethyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 172235897
1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 172235964

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136832052) is N,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CCN(CC)C(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is FZDJAWUENRGGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3-11(4-2)6(12)5-8-7(13)10-9-5/h3-4H2,1-2H3,(H2,8,9,10,13).
What are the key properties of N,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 184.20 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136832052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).