1,3,4-oxadiazol-2-ylmethylazanium

C3H6N3O+ — CID 7128658

IUPAC1,3,4-oxadiazol-2-ylmethylazanium
SMILES[NH3+]Cc1nnco1
InChIInChI=1S/C3H5N3O/c4-1-3-6-5-2-7-3/h2H,1,4H2/p+1
InChIKeyFLOHHSLSDRAFET-UHFFFAOYSA-O
MW100.10 g/mol
LogP-1.19
Rot. Bonds1

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

1,3,4-oxadiazol-2-ylmethylazanium (PubChem CID 7128658) has the molecular formula C3H6N3O+ and a molecular weight of 100.10 g/mol. Its IUPAC name is 1,3,4-oxadiazol-2-ylmethylazanium.

Molecular Properties

Compound Name1,3,4-oxadiazol-2-ylmethylazanium
PubChem CID7128658
Molecular FormulaC3H6N3O+
Molecular Weight100.10 g/mol
Exact Mass100.05
IUPAC Name1,3,4-oxadiazol-2-ylmethylazanium
SMILES[NH3+]Cc1nnco1
InChIInChI=1S/C3H5N3O/c4-1-3-6-5-2-7-3/h2H,1,4H2/p+1
InChIKeyFLOHHSLSDRAFET-UHFFFAOYSA-O
XLogP-1.19
TPSA66.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-oxadiazol-2-ylmethylazanium?
The IUPAC name of 1,3,4-oxadiazol-2-ylmethylazanium (CID 7128658) is 1,3,4-oxadiazol-2-ylmethylazanium.
What is the SMILES notation for 1,3,4-oxadiazol-2-ylmethylazanium?
The canonical SMILES for 1,3,4-oxadiazol-2-ylmethylazanium is [NH3+]Cc1nnco1.
What is the InChIKey of 1,3,4-oxadiazol-2-ylmethylazanium?
The InChIKey is FLOHHSLSDRAFET-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5N3O/c4-1-3-6-5-2-7-3/h2H,1,4H2/p+1.
What are the key properties of 1,3,4-oxadiazol-2-ylmethylazanium?
1,3,4-oxadiazol-2-ylmethylazanium has a molecular weight of 100.10 g/mol, XLogP of -1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-oxadiazol-2-ylmethylazanium is sourced from PubChem (CID 7128658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).