1,3,4-oxadiazol-2-ylmethanamine;hydrobromide

C3H6BrN3O — CID 133059288

IUPAC1,3,4-oxadiazol-2-ylmethanamine;hydrobromide
SMILESBr.NCc1nnco1
InChIInChI=1S/C3H5N3O.BrH/c4-1-3-6-5-2-7-3;/h2H,1,4H2;1H
InChIKeyMCSLLZNSPOSCEF-UHFFFAOYSA-N
MW180.00 g/mol
LogP0.11
Rot. Bonds1

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

1,3,4-oxadiazol-2-ylmethanamine;hydrobromide (PubChem CID 133059288) has the molecular formula C3H6BrN3O and a molecular weight of 180.00 g/mol. Its IUPAC name is 1,3,4-oxadiazol-2-ylmethanamine;hydrobromide.

Molecular Properties

Compound Name1,3,4-oxadiazol-2-ylmethanamine;hydrobromide
PubChem CID133059288
Molecular FormulaC3H6BrN3O
Molecular Weight180.00 g/mol
Exact Mass178.97
IUPAC Name1,3,4-oxadiazol-2-ylmethanamine;hydrobromide
SMILESBr.NCc1nnco1
InChIInChI=1S/C3H5N3O.BrH/c4-1-3-6-5-2-7-3;/h2H,1,4H2;1H
InChIKeyMCSLLZNSPOSCEF-UHFFFAOYSA-N
XLogP0.11
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.00
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3,4-Oxadiazol-2-yl)methylamine hydrochloride
CID 86346224
(1,3,4-Oxadiazol-2-YL)methanamine
CID 4739198
2-Azidomethyl-1,3,4-oxadiazole
CID 129864829
1,3,4-Oxadiazol-2-ylmethylhydrazine
CID 118486306
N-iodo-1-(1,3,4-oxadiazol-2-yl)methanamine
CID 149431276
Ethane;1,3,4-oxadiazol-2-ylmethanamine
CID 166458084
1,3,4-Oxadiazol-2-ylmethylazanium
CID 7128658

Frequently Asked Questions

What is the IUPAC name of 1,3,4-oxadiazol-2-ylmethanamine;hydrobromide?
The IUPAC name of 1,3,4-oxadiazol-2-ylmethanamine;hydrobromide (CID 133059288) is 1,3,4-oxadiazol-2-ylmethanamine;hydrobromide.
What is the SMILES notation for 1,3,4-oxadiazol-2-ylmethanamine;hydrobromide?
The canonical SMILES for 1,3,4-oxadiazol-2-ylmethanamine;hydrobromide is Br.NCc1nnco1.
What is the InChIKey of 1,3,4-oxadiazol-2-ylmethanamine;hydrobromide?
The InChIKey is MCSLLZNSPOSCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O.BrH/c4-1-3-6-5-2-7-3;/h2H,1,4H2;1H.
What are the key properties of 1,3,4-oxadiazol-2-ylmethanamine;hydrobromide?
1,3,4-oxadiazol-2-ylmethanamine;hydrobromide has a molecular weight of 180.00 g/mol, XLogP of 0.11, 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;hydrobromide is sourced from PubChem (CID 133059288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).