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

C5H6N6O3 — CID 4168605

IUPAC4-[(4-amino-1,2,5-oxadiazol-3-yl)oxymethyl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1COc1nonc1N
InChIInChI=1S/C5H6N6O3/c6-3-2(8-13-9-3)1-12-5-4(7)10-14-11-5/h1H2,(H2,6,9)(H2,7,10)
InChIKeyAWPCIDUOPUNXNP-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.80
Rot. Bonds3

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

4-[(4-amino-1,2,5-oxadiazol-3-yl)oxymethyl]-1,2,5-oxadiazol-3-amine (PubChem CID 4168605) has the molecular formula C5H6N6O3 and a molecular weight of 198.14 g/mol. Its IUPAC name is 4-[(4-amino-1,2,5-oxadiazol-3-yl)oxymethyl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[(4-amino-1,2,5-oxadiazol-3-yl)oxymethyl]-1,2,5-oxadiazol-3-amine
PubChem CID4168605
Molecular FormulaC5H6N6O3
Molecular Weight198.14 g/mol
Exact Mass198.05
IUPAC Name4-[(4-amino-1,2,5-oxadiazol-3-yl)oxymethyl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1COc1nonc1N
InChIInChI=1S/C5H6N6O3/c6-3-2(8-13-9-3)1-12-5-4(7)10-14-11-5/h1H2,(H2,6,9)(H2,7,10)
InChIKeyAWPCIDUOPUNXNP-UHFFFAOYSA-N
XLogP-0.80
TPSA139.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-0.80
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)oxymethyl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[(4-amino-1,2,5-oxadiazol-3-yl)oxymethyl]-1,2,5-oxadiazol-3-amine (CID 4168605) is 4-[(4-amino-1,2,5-oxadiazol-3-yl)oxymethyl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[(4-amino-1,2,5-oxadiazol-3-yl)oxymethyl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[(4-amino-1,2,5-oxadiazol-3-yl)oxymethyl]-1,2,5-oxadiazol-3-amine is Nc1nonc1COc1nonc1N.
What is the InChIKey of 4-[(4-amino-1,2,5-oxadiazol-3-yl)oxymethyl]-1,2,5-oxadiazol-3-amine?
The InChIKey is AWPCIDUOPUNXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6O3/c6-3-2(8-13-9-3)1-12-5-4(7)10-14-11-5/h1H2,(H2,6,9)(H2,7,10).
What are the key properties of 4-[(4-amino-1,2,5-oxadiazol-3-yl)oxymethyl]-1,2,5-oxadiazol-3-amine?
4-[(4-amino-1,2,5-oxadiazol-3-yl)oxymethyl]-1,2,5-oxadiazol-3-amine has a molecular weight of 198.14 g/mol, XLogP of -0.80, 3 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)oxymethyl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 4168605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).