4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide

C6H10Br2N4O — CID 110205704

IUPAC4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide
SMILESBr.Brc1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C6H9BrN4O.BrH/c7-5-8-6(10-9-5)11-1-3-12-4-2-11;/h1-4H2,(H,8,9,10);1H
InChIKeyMUQRWQPQWQWRTM-UHFFFAOYSA-N
MW313.98 g/mol
LogP0.98
Rot. Bonds1

About 4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide

4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide (PubChem CID 110205704) has the molecular formula C6H10Br2N4O and a molecular weight of 313.98 g/mol. Its IUPAC name is 4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide.

Molecular Properties

Compound Name4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide
PubChem CID110205704
Molecular FormulaC6H10Br2N4O
Molecular Weight313.98 g/mol
Exact Mass311.92
IUPAC Name4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide
SMILESBr.Brc1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C6H9BrN4O.BrH/c7-5-8-6(10-9-5)11-1-3-12-4-2-11;/h1-4H2,(H,8,9,10);1H
InChIKeyMUQRWQPQWQWRTM-UHFFFAOYSA-N
XLogP0.98
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.98
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide?
The IUPAC name of 4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide (CID 110205704) is 4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide.
What is the SMILES notation for 4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide?
The canonical SMILES for 4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide is Br.Brc1nc(N2CCOCC2)n[nH]1.
What is the InChIKey of 4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide?
The InChIKey is MUQRWQPQWQWRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4O.BrH/c7-5-8-6(10-9-5)11-1-3-12-4-2-11;/h1-4H2,(H,8,9,10);1H.
What are the key properties of 4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide?
4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide has a molecular weight of 313.98 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1H-1,2,4-triazol-3-yl)morpholine;hydrobromide is sourced from PubChem (CID 110205704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).