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

C7H8N6O2 — CID 103822758

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1nc(CNC(=O)c2ncn[nH]2)no1
InChIInChI=1S/C7H8N6O2/c1-4-11-5(13-15-4)2-8-7(14)6-9-3-10-12-6/h3H,2H2,1H3,(H,8,14)(H,9,10,12)
InChIKeyVZNCFXOCBFYABL-UHFFFAOYSA-N
MW208.18 g/mol
LogP-0.57
Rot. Bonds3

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 103822758) has the molecular formula C7H8N6O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID103822758
Molecular FormulaC7H8N6O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1nc(CNC(=O)c2ncn[nH]2)no1
InChIInChI=1S/C7H8N6O2/c1-4-11-5(13-15-4)2-8-7(14)6-9-3-10-12-6/h3H,2H2,1H3,(H,8,14)(H,9,10,12)
InChIKeyVZNCFXOCBFYABL-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 N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide (CID 103822758) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide is Cc1nc(CNC(=O)c2ncn[nH]2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is VZNCFXOCBFYABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2/c1-4-11-5(13-15-4)2-8-7(14)6-9-3-10-12-6/h3H,2H2,1H3,(H,8,14)(H,9,10,12).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,4-triazole-5-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 N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 103822758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).