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

C6H8N6O2 — CID 126478395

IUPAC4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESCOCc1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C6H8N6O2/c1-13-2-3-8-6(10-9-3)4-5(7)12-14-11-4/h2H2,1H3,(H2,7,12)(H,8,9,10)
InChIKeyRAOASNIHJCBNSK-UHFFFAOYSA-N
MW196.17 g/mol
LogP-0.42
Rot. Bonds3

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

4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 126478395) has the molecular formula C6H8N6O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
PubChem CID126478395
Molecular FormulaC6H8N6O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILESCOCc1nc(-c2nonc2N)n[nH]1
InChIInChI=1S/C6H8N6O2/c1-13-2-3-8-6(10-9-3)4-5(7)12-14-11-4/h2H2,1H3,(H2,7,12)(H,8,9,10)
InChIKeyRAOASNIHJCBNSK-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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Related Compounds

Pentan-1-ol, 5-[5-(4-amino-3-furazanyl)-4H-1,2,4-triazol-3-yl]-
CID 595972
4-(5-Methyl-1,2,4-triazol-3-yl)furazan-3-amine
CID 58778287
4-[4-(5-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]morpholine
CID 91973757
3-Methoxy-4-(5-methyl-1,2,4-triazol-3-yl)furazan
CID 129872136
3-(3-Aminofurazan-4-yl)-1,2,4-triazole-5-acetamide
CID 135398174
3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazole
CID 8027131
ethyl 2-[3-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]acetate
CID 166903186
4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 62807326
4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 62807498
4-(5-propyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 62807499
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 62807500
ethyl 3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazole-5-carboxylate
CID 66289256

Frequently Asked Questions

What is the IUPAC name of 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine (CID 126478395) is 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine is COCc1nc(-c2nonc2N)n[nH]1.
What is the InChIKey of 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is RAOASNIHJCBNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O2/c1-13-2-3-8-6(10-9-3)4-5(7)12-14-11-4/h2H2,1H3,(H2,7,12)(H,8,9,10).
What are the key properties of 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine?
4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-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 4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 126478395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).