N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

C7H8N6O2 — CID 103824823

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCCc1ncon1)c1ncn[nH]1
InChIInChI=1S/C7H8N6O2/c14-7(6-9-3-11-12-6)8-2-1-5-10-4-15-13-5/h3-4H,1-2H2,(H,8,14)(H,9,11,12)
InChIKeyGUCKORKZBHKHEM-UHFFFAOYSA-N
MW208.18 g/mol
LogP-0.84
Rot. Bonds4

About N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 103824823) has the molecular formula C7H8N6O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID103824823
Molecular FormulaC7H8N6O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCCc1ncon1)c1ncn[nH]1
InChIInChI=1S/C7H8N6O2/c14-7(6-9-3-11-12-6)8-2-1-5-10-4-15-13-5/h3-4H,1-2H2,(H,8,14)(H,9,11,12)
InChIKeyGUCKORKZBHKHEM-UHFFFAOYSA-N
XLogP-0.84
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 103824823) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is O=C(NCCc1ncon1)c1ncn[nH]1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is GUCKORKZBHKHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2/c14-7(6-9-3-11-12-6)8-2-1-5-10-4-15-13-5/h3-4H,1-2H2,(H,8,14)(H,9,11,12).
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 208.18 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 103824823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).