1,3,4-oxadiazol-2-ylmethanamine

C3H5N3O — CID 4739198

IUPAC1,3,4-oxadiazol-2-ylmethanamine
SMILESNCc1nnco1
InChIInChI=1S/C3H5N3O/c4-1-3-6-5-2-7-3/h2H,1,4H2
InChIKeyFLOHHSLSDRAFET-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.47
Rot. Bonds1

About 1,3,4-oxadiazol-2-ylmethanamine

1,3,4-oxadiazol-2-ylmethanamine (PubChem CID 4739198) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is 1,3,4-oxadiazol-2-ylmethanamine.

Molecular Properties

Compound Name1,3,4-oxadiazol-2-ylmethanamine
PubChem CID4739198
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name1,3,4-oxadiazol-2-ylmethanamine
SMILESNCc1nnco1
InChIInChI=1S/C3H5N3O/c4-1-3-6-5-2-7-3/h2H,1,4H2
InChIKeyFLOHHSLSDRAFET-UHFFFAOYSA-N
XLogP-0.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-oxadiazol-2-ylmethanamine?
The IUPAC name of 1,3,4-oxadiazol-2-ylmethanamine (CID 4739198) is 1,3,4-oxadiazol-2-ylmethanamine.
What is the SMILES notation for 1,3,4-oxadiazol-2-ylmethanamine?
The canonical SMILES for 1,3,4-oxadiazol-2-ylmethanamine is NCc1nnco1.
What is the InChIKey of 1,3,4-oxadiazol-2-ylmethanamine?
The InChIKey is FLOHHSLSDRAFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O/c4-1-3-6-5-2-7-3/h2H,1,4H2.
What are the key properties of 1,3,4-oxadiazol-2-ylmethanamine?
1,3,4-oxadiazol-2-ylmethanamine has a molecular weight of 99.09 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-oxadiazol-2-ylmethanamine is sourced from PubChem (CID 4739198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).