2-(triazol-1-ylmethyl)morpholine;dihydrochloride

C7H14Cl2N4O — CID 126817029

IUPAC2-(triazol-1-ylmethyl)morpholine;dihydrochloride
SMILESCl.Cl.c1cn(CC2CNCCO2)nn1
InChIInChI=1S/C7H12N4O.2ClH/c1-3-11(10-9-1)6-7-5-8-2-4-12-7;;/h1,3,7-8H,2,4-6H2;2*1H
InChIKeyZMVFSGVEXNZVDT-UHFFFAOYSA-N
MW241.12 g/mol
LogP0.11
Rot. Bonds2

About 2-(triazol-1-ylmethyl)morpholine;dihydrochloride

2-(triazol-1-ylmethyl)morpholine;dihydrochloride (PubChem CID 126817029) has the molecular formula C7H14Cl2N4O and a molecular weight of 241.12 g/mol. Its IUPAC name is 2-(triazol-1-ylmethyl)morpholine;dihydrochloride.

Molecular Properties

Compound Name2-(triazol-1-ylmethyl)morpholine;dihydrochloride
PubChem CID126817029
Molecular FormulaC7H14Cl2N4O
Molecular Weight241.12 g/mol
Exact Mass240.05
IUPAC Name2-(triazol-1-ylmethyl)morpholine;dihydrochloride
SMILESCl.Cl.c1cn(CC2CNCCO2)nn1
InChIInChI=1S/C7H12N4O.2ClH/c1-3-11(10-9-1)6-7-5-8-2-4-12-7;;/h1,3,7-8H,2,4-6H2;2*1H
InChIKeyZMVFSGVEXNZVDT-UHFFFAOYSA-N
XLogP0.11
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-1-ylmethyl)morpholine;dihydrochloride?
The IUPAC name of 2-(triazol-1-ylmethyl)morpholine;dihydrochloride (CID 126817029) is 2-(triazol-1-ylmethyl)morpholine;dihydrochloride.
What is the SMILES notation for 2-(triazol-1-ylmethyl)morpholine;dihydrochloride?
The canonical SMILES for 2-(triazol-1-ylmethyl)morpholine;dihydrochloride is Cl.Cl.c1cn(CC2CNCCO2)nn1.
What is the InChIKey of 2-(triazol-1-ylmethyl)morpholine;dihydrochloride?
The InChIKey is ZMVFSGVEXNZVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.2ClH/c1-3-11(10-9-1)6-7-5-8-2-4-12-7;;/h1,3,7-8H,2,4-6H2;2*1H.
What are the key properties of 2-(triazol-1-ylmethyl)morpholine;dihydrochloride?
2-(triazol-1-ylmethyl)morpholine;dihydrochloride has a molecular weight of 241.12 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-1-ylmethyl)morpholine;dihydrochloride is sourced from PubChem (CID 126817029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).