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

C5H8N4O — CID 57268047

IUPAC5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(N)=O)n[nH]1
InChIInChI=1S/C5H8N4O/c1-2-3-7-5(4(6)10)9-8-3/h2H2,1H3,(H2,6,10)(H,7,8,9)
InChIKeyZWLFOFUTMMSWMM-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.53
Rot. Bonds2

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

5-ethyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 57268047) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 5-ethyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID57268047
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(N)=O)n[nH]1
InChIInChI=1S/C5H8N4O/c1-2-3-7-5(4(6)10)9-8-3/h2H2,1H3,(H2,6,10)(H,7,8,9)
InChIKeyZWLFOFUTMMSWMM-UHFFFAOYSA-N
XLogP-0.53
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-ethyl-1H-1,2,4-triazole-3-carboxamide (CID 57268047) is 5-ethyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-ethyl-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(N)=O)n[nH]1.
What is the InChIKey of 5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is ZWLFOFUTMMSWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-2-3-7-5(4(6)10)9-8-3/h2H2,1H3,(H2,6,10)(H,7,8,9).
What are the key properties of 5-ethyl-1H-1,2,4-triazole-3-carboxamide?
5-ethyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 140.15 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 57268047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).