1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine

C6H10N4O — CID 65250263

IUPAC1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine
SMILESNC1CN(Cc2ncno2)C1
InChIInChI=1S/C6H10N4O/c7-5-1-10(2-5)3-6-8-4-9-11-6/h4-5H,1-3,7H2
InChIKeyJMAAUSXMTNAGCE-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.79
Rot. Bonds2

About 1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine

1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine (PubChem CID 65250263) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine
PubChem CID65250263
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine
SMILESNC1CN(Cc2ncno2)C1
InChIInChI=1S/C6H10N4O/c7-5-1-10(2-5)3-6-8-4-9-11-6/h4-5H,1-3,7H2
InChIKeyJMAAUSXMTNAGCE-UHFFFAOYSA-N
XLogP-0.79
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine?
The IUPAC name of 1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine (CID 65250263) is 1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine.
What is the SMILES notation for 1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine?
The canonical SMILES for 1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine is NC1CN(Cc2ncno2)C1.
What is the InChIKey of 1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine?
The InChIKey is JMAAUSXMTNAGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c7-5-1-10(2-5)3-6-8-4-9-11-6/h4-5H,1-3,7H2.
What are the key properties of 1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine?
1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine has a molecular weight of 154.17 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-5-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 65250263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).