3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride

C12H15ClN4O — CID 102555198

IUPAC3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride
SMILESCl.c1ccc(-n2ncnc2C2COCCN2)cc1
InChIInChI=1S/C12H14N4O.ClH/c1-2-4-10(5-3-1)16-12(14-9-15-16)11-8-17-7-6-13-11;/h1-5,9,11,13H,6-8H2;1H
InChIKeyNXTVTWVNVXSWAA-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.35
Rot. Bonds2

About 3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride

3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride (PubChem CID 102555198) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride
PubChem CID102555198
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride
SMILESCl.c1ccc(-n2ncnc2C2COCCN2)cc1
InChIInChI=1S/C12H14N4O.ClH/c1-2-4-10(5-3-1)16-12(14-9-15-16)11-8-17-7-6-13-11;/h1-5,9,11,13H,6-8H2;1H
InChIKeyNXTVTWVNVXSWAA-UHFFFAOYSA-N
XLogP1.35
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride?
The IUPAC name of 3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride (CID 102555198) is 3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride.
What is the SMILES notation for 3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride?
The canonical SMILES for 3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride is Cl.c1ccc(-n2ncnc2C2COCCN2)cc1.
What is the InChIKey of 3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride?
The InChIKey is NXTVTWVNVXSWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.ClH/c1-2-4-10(5-3-1)16-12(14-9-15-16)11-8-17-7-6-13-11;/h1-5,9,11,13H,6-8H2;1H.
What are the key properties of 3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride?
3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-1,2,4-triazol-3-yl)morpholine;hydrochloride is sourced from PubChem (CID 102555198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).