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

C6H8N6O3 — CID 4259635

IUPAC4-[(4-amino-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1COCc1nonc1N
InChIInChI=1S/C6H8N6O3/c7-5-3(9-14-11-5)1-13-2-4-6(8)12-15-10-4/h1-2H2,(H2,7,11)(H2,8,12)
InChIKeyYXEOEXKSOVCINA-UHFFFAOYSA-N
MW212.17 g/mol
LogP-0.67
Rot. Bonds4

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

4-[(4-amino-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazol-3-amine (PubChem CID 4259635) has the molecular formula C6H8N6O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is 4-[(4-amino-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[(4-amino-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazol-3-amine
PubChem CID4259635
Molecular FormulaC6H8N6O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Name4-[(4-amino-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1COCc1nonc1N
InChIInChI=1S/C6H8N6O3/c7-5-3(9-14-11-5)1-13-2-4-6(8)12-15-10-4/h1-2H2,(H2,7,11)(H2,8,12)
InChIKeyYXEOEXKSOVCINA-UHFFFAOYSA-N
XLogP-0.67
TPSA139.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[(4-amino-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazol-3-amine (CID 4259635) is 4-[(4-amino-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[(4-amino-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[(4-amino-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazol-3-amine is Nc1nonc1COCc1nonc1N.
What is the InChIKey of 4-[(4-amino-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazol-3-amine?
The InChIKey is YXEOEXKSOVCINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O3/c7-5-3(9-14-11-5)1-13-2-4-6(8)12-15-10-4/h1-2H2,(H2,7,11)(H2,8,12).
What are the key properties of 4-[(4-amino-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazol-3-amine?
4-[(4-amino-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazol-3-amine has a molecular weight of 212.17 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-1,2,5-oxadiazol-3-yl)methoxymethyl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 4259635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).