5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine

C6H10N4O — CID 84649929

IUPAC5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine
SMILESNCc1nc(NC2CC2)no1
InChIInChI=1S/C6H10N4O/c7-3-5-9-6(10-11-5)8-4-1-2-4/h4H,1-3,7H2,(H,8,10)
InChIKeyISXNVKVGJVWXSO-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.10
Rot. Bonds3

About 5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine

5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine (PubChem CID 84649929) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine
PubChem CID84649929
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine
SMILESNCc1nc(NC2CC2)no1
InChIInChI=1S/C6H10N4O/c7-3-5-9-6(10-11-5)8-4-1-2-4/h4H,1-3,7H2,(H,8,10)
InChIKeyISXNVKVGJVWXSO-UHFFFAOYSA-N
XLogP0.10
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine (CID 84649929) is 5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine is NCc1nc(NC2CC2)no1.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine?
The InChIKey is ISXNVKVGJVWXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c7-3-5-9-6(10-11-5)8-4-1-2-4/h4H,1-3,7H2,(H,8,10).
What are the key properties of 5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine?
5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine has a molecular weight of 154.17 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopropyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 84649929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).