2-(triazol-1-ylmethyl)-1,3-oxazolidine

C6H10N4O — CID 139972157

IUPAC2-(triazol-1-ylmethyl)-1,3-oxazolidine
SMILESc1cn(CC2NCCO2)nn1
InChIInChI=1S/C6H10N4O/c1-3-10(9-8-1)5-6-7-2-4-11-6/h1,3,6-7H,2,4-5H2
InChIKeyATFDIXGHCNPBSV-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.78
Rot. Bonds2

About 2-(triazol-1-ylmethyl)-1,3-oxazolidine

2-(triazol-1-ylmethyl)-1,3-oxazolidine (PubChem CID 139972157) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(triazol-1-ylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(triazol-1-ylmethyl)-1,3-oxazolidine
PubChem CID139972157
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name2-(triazol-1-ylmethyl)-1,3-oxazolidine
SMILESc1cn(CC2NCCO2)nn1
InChIInChI=1S/C6H10N4O/c1-3-10(9-8-1)5-6-7-2-4-11-6/h1,3,6-7H,2,4-5H2
InChIKeyATFDIXGHCNPBSV-UHFFFAOYSA-N
XLogP-0.78
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

rac-(3R,4S)-4-(1H-1,2,3-triazol-1-yl)oxolan-3-amine dihydrochloride
CID 165982510
1,1'-[Oxybis(ethane-2,1-diyl)]di(1h-1,2,3-tri-azole)
CID 12554289
2-(triazol-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 104444723
2-(triazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 104444740
Rac-(3R,4S)-4-(1H-1,2,3-triazol-1-yl)oxolan-3-amine
CID 124709636
5-[1,2,3]Triazol-1-ylmethyl-oxazolidin-2-one
CID 58778320
(5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 59994668
2-(Triazol-1-yl)morpholine
CID 69572380
2-[2-(1H-1,2,3-Triazol-1-yl)ethoxy]ethan-1-amine
CID 86262487
1-[2-(2-Azidoethoxy)ethyl]triazole
CID 138714491
5-(Triazol-1-yl)-1,3-oxazolidin-2-one
CID 142674296
2-[2-[2-[2-(Triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 152587081

Frequently Asked Questions

What is the IUPAC name of 2-(triazol-1-ylmethyl)-1,3-oxazolidine?
The IUPAC name of 2-(triazol-1-ylmethyl)-1,3-oxazolidine (CID 139972157) is 2-(triazol-1-ylmethyl)-1,3-oxazolidine.
What is the SMILES notation for 2-(triazol-1-ylmethyl)-1,3-oxazolidine?
The canonical SMILES for 2-(triazol-1-ylmethyl)-1,3-oxazolidine is c1cn(CC2NCCO2)nn1.
What is the InChIKey of 2-(triazol-1-ylmethyl)-1,3-oxazolidine?
The InChIKey is ATFDIXGHCNPBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-3-10(9-8-1)5-6-7-2-4-11-6/h1,3,6-7H,2,4-5H2.
What are the key properties of 2-(triazol-1-ylmethyl)-1,3-oxazolidine?
2-(triazol-1-ylmethyl)-1,3-oxazolidine has a molecular weight of 154.17 g/mol, XLogP of -0.78, 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)-1,3-oxazolidine is sourced from PubChem (CID 139972157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).