5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine

C6H8N6O2 — CID 62793554

IUPAC5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCOCc1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C6H8N6O2/c1-13-2-3-8-5(14-12-3)4-9-6(7)11-10-4/h2H2,1H3,(H3,7,9,10,11)
InChIKeyXUZJJVBCMPTHQG-UHFFFAOYSA-N
MW196.17 g/mol
LogP-0.42
Rot. Bonds3

About 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine

5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 62793554) has the molecular formula C6H8N6O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
PubChem CID62793554
Molecular FormulaC6H8N6O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
SMILESCOCc1noc(-c2nc(N)n[nH]2)n1
InChIInChI=1S/C6H8N6O2/c1-13-2-3-8-5(14-12-3)4-9-6(7)11-10-4/h2H2,1H3,(H3,7,9,10,11)
InChIKeyXUZJJVBCMPTHQG-UHFFFAOYSA-N
XLogP-0.42
TPSA115.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine (CID 62793554) is 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is COCc1noc(-c2nc(N)n[nH]2)n1.
What is the InChIKey of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is XUZJJVBCMPTHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O2/c1-13-2-3-8-5(14-12-3)4-9-6(7)11-10-4/h2H2,1H3,(H3,7,9,10,11).
What are the key properties of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine?
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 196.17 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62793554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).