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

C5H8N4O2 — CID 137030761

IUPACN,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H8N4O2/c1-9(2)4(10)3-6-5(11)8-7-3/h1-2H3,(H2,6,7,8,11)
InChIKeyWOAFKPMLNMIOHM-UHFFFAOYSA-N
MW156.14 g/mol
LogP-1.20
Rot. Bonds1

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

N,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 137030761) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is N,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID137030761
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC NameN,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C5H8N4O2/c1-9(2)4(10)3-6-5(11)8-7-3/h1-2H3,(H2,6,7,8,11)
InChIKeyWOAFKPMLNMIOHM-UHFFFAOYSA-N
XLogP-1.20
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Dimethylamino-6-azauracil
CID 267906
6-(Methylamino)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
CID 1270103
N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 136596363
N-methyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137274277
N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 142157801
N-iodo-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 142158032
1-methyl-5-oxo-4H-1,2,4-triazole-3-carbohydrazide
CID 148529716
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
4-methyl-5-oxo-1H-1,2,4-triazole-3-carboxamide
CID 174883158
ethane;6-(methylamino)-2H-1,2,4-triazine-3,5-dione
CID 178683657

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 137030761) is N,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CN(C)C(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is WOAFKPMLNMIOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-9(2)4(10)3-6-5(11)8-7-3/h1-2H3,(H2,6,7,8,11).
What are the key properties of N,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 156.14 g/mol, XLogP of -1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 137030761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).