1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

C5H8N4O2 — CID 155646204

IUPAC1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCCn1nc(C(N)=O)[nH]c1=O
InChIInChI=1S/C5H8N4O2/c1-2-9-5(11)7-4(8-9)3(6)10/h2H2,1H3,(H2,6,10)(H,7,8,11)
InChIKeyDUBJZDVRXWBFLD-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.31
Rot. Bonds2

About 1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 155646204) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID155646204
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCCn1nc(C(N)=O)[nH]c1=O
InChIInChI=1S/C5H8N4O2/c1-2-9-5(11)7-4(8-9)3(6)10/h2H2,1H3,(H2,6,10)(H,7,8,11)
InChIKeyDUBJZDVRXWBFLD-UHFFFAOYSA-N
XLogP-1.31
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Amino-3-methyl-5-oxo-4,5-dihydro-1 h-1,2,4-triazol-1-yl)acetohydrazide
CID 11435368
N-methyl-2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetamide
CID 90542330
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,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
5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide
CID 152709792
6-Amino-2-ethyl-1,2,4-triazine-3,5-dione
CID 167062699
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
6-(Dimethylamino)-2-methyl-1,2,4-triazine-3,5-dione
CID 853581

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 155646204) is 1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is CCn1nc(C(N)=O)[nH]c1=O.
What is the InChIKey of 1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is DUBJZDVRXWBFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-2-9-5(11)7-4(8-9)3(6)10/h2H2,1H3,(H2,6,10)(H,7,8,11).
What are the key properties of 1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 156.15 g/mol, XLogP of -1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 155646204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).