2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride

C7H14Cl2N4O — CID 86811670

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride
SMILESCl.Cl.Cn1cnnc1C1CNCCO1
InChIInChI=1S/C7H12N4O.2ClH/c1-11-5-9-10-7(11)6-4-8-2-3-12-6;;/h5-6,8H,2-4H2,1H3;2*1H
InChIKeyZGWNPJNFHYGTGZ-UHFFFAOYSA-N
MW241.12 g/mol
LogP0.32
Rot. Bonds1

About 2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride

2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride (PubChem CID 86811670) has the molecular formula C7H14Cl2N4O and a molecular weight of 241.12 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride
PubChem CID86811670
Molecular FormulaC7H14Cl2N4O
Molecular Weight241.12 g/mol
Exact Mass240.05
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride
SMILESCl.Cl.Cn1cnnc1C1CNCCO1
InChIInChI=1S/C7H12N4O.2ClH/c1-11-5-9-10-7(11)6-4-8-2-3-12-6;;/h5-6,8H,2-4H2,1H3;2*1H
InChIKeyZGWNPJNFHYGTGZ-UHFFFAOYSA-N
XLogP0.32
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride (CID 86811670) is 2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride is Cl.Cl.Cn1cnnc1C1CNCCO1.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride?
The InChIKey is ZGWNPJNFHYGTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.2ClH/c1-11-5-9-10-7(11)6-4-8-2-3-12-6;;/h5-6,8H,2-4H2,1H3;2*1H.
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride?
2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride has a molecular weight of 241.12 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,4-triazol-3-yl)morpholine;dihydrochloride is sourced from PubChem (CID 86811670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).