5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide

C7H8N6O2 — CID 106406325

IUPAC5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCc2ncon2)n[nH]1
InChIInChI=1S/C7H8N6O2/c1-4-10-6(12-11-4)7(14)8-2-5-9-3-15-13-5/h3H,2H2,1H3,(H,8,14)(H,10,11,12)
InChIKeyCDIYMANZEZXVDA-UHFFFAOYSA-N
MW208.18 g/mol
LogP-0.57
Rot. Bonds3

About 5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide

5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106406325) has the molecular formula C7H8N6O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID106406325
Molecular FormulaC7H8N6O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCc2ncon2)n[nH]1
InChIInChI=1S/C7H8N6O2/c1-4-10-6(12-11-4)7(14)8-2-5-9-3-15-13-5/h3H,2H2,1H3,(H,8,14)(H,10,11,12)
InChIKeyCDIYMANZEZXVDA-UHFFFAOYSA-N
XLogP-0.57
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide (CID 106406325) is 5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NCc2ncon2)n[nH]1.
What is the InChIKey of 5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is CDIYMANZEZXVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2/c1-4-10-6(12-11-4)7(14)8-2-5-9-3-15-13-5/h3H,2H2,1H3,(H,8,14)(H,10,11,12).
What are the key properties of 5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide?
5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 208.18 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106406325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).