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

C6H6N6O2 — CID 106406336

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCc1ncon1)c1ncn[nH]1
InChIInChI=1S/C6H6N6O2/c13-6(5-8-2-10-11-5)7-1-4-9-3-14-12-4/h2-3H,1H2,(H,7,13)(H,8,10,11)
InChIKeyJHUVHUAWTPLHTL-UHFFFAOYSA-N
MW194.15 g/mol
LogP-0.88
Rot. Bonds3

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

N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 106406336) has the molecular formula C6H6N6O2 and a molecular weight of 194.15 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID106406336
Molecular FormulaC6H6N6O2
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCc1ncon1)c1ncn[nH]1
InChIInChI=1S/C6H6N6O2/c13-6(5-8-2-10-11-5)7-1-4-9-3-14-12-4/h2-3H,1H2,(H,7,13)(H,8,10,11)
InChIKeyJHUVHUAWTPLHTL-UHFFFAOYSA-N
XLogP-0.88
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (CID 106406336) is N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is O=C(NCc1ncon1)c1ncn[nH]1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is JHUVHUAWTPLHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6O2/c13-6(5-8-2-10-11-5)7-1-4-9-3-14-12-4/h2-3H,1H2,(H,7,13)(H,8,10,11).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 194.15 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 106406336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).