1-[(3S)-oxan-3-yl]triazole

C7H11N3O — CID 164913788

IUPAC1-[(3S)-oxan-3-yl]triazole
SMILESc1cn([C@H]2CCCOC2)nn1
InChIInChI=1S/C7H11N3O/c1-2-7(6-11-5-1)10-4-3-8-9-10/h3-4,7H,1-2,5-6H2/t7-/m0/s1
InChIKeyGHMXKEBIWYTNFR-ZETCQYMHSA-N
MW153.19 g/mol
LogP0.63
Rot. Bonds1

About 1-[(3S)-oxan-3-yl]triazole

1-[(3S)-oxan-3-yl]triazole (PubChem CID 164913788) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-[(3S)-oxan-3-yl]triazole.

Molecular Properties

Compound Name1-[(3S)-oxan-3-yl]triazole
PubChem CID164913788
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1-[(3S)-oxan-3-yl]triazole
SMILESc1cn([C@H]2CCCOC2)nn1
InChIInChI=1S/C7H11N3O/c1-2-7(6-11-5-1)10-4-3-8-9-10/h3-4,7H,1-2,5-6H2/t7-/m0/s1
InChIKeyGHMXKEBIWYTNFR-ZETCQYMHSA-N
XLogP0.63
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-oxan-3-yl]triazole?
The IUPAC name of 1-[(3S)-oxan-3-yl]triazole (CID 164913788) is 1-[(3S)-oxan-3-yl]triazole.
What is the SMILES notation for 1-[(3S)-oxan-3-yl]triazole?
The canonical SMILES for 1-[(3S)-oxan-3-yl]triazole is c1cn([C@H]2CCCOC2)nn1.
What is the InChIKey of 1-[(3S)-oxan-3-yl]triazole?
The InChIKey is GHMXKEBIWYTNFR-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-7(6-11-5-1)10-4-3-8-9-10/h3-4,7H,1-2,5-6H2/t7-/m0/s1.
What are the key properties of 1-[(3S)-oxan-3-yl]triazole?
1-[(3S)-oxan-3-yl]triazole has a molecular weight of 153.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-oxan-3-yl]triazole is sourced from PubChem (CID 164913788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).