1-(oxan-4-yl)-2H-1,3,5-triazine

C8H13N3O — CID 175948777

IUPAC1-(oxan-4-yl)-2H-1,3,5-triazine
SMILESC1=NC=NCN1C1CCOCC1
InChIInChI=1S/C8H13N3O/c1-3-12-4-2-8(1)11-6-9-5-10-7-11/h5-6,8H,1-4,7H2
InChIKeyYAFNFXRISJUOAX-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.50
Rot. Bonds1

About 1-(oxan-4-yl)-2H-1,3,5-triazine

1-(oxan-4-yl)-2H-1,3,5-triazine (PubChem CID 175948777) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2H-1,3,5-triazine.

Molecular Properties

Compound Name1-(oxan-4-yl)-2H-1,3,5-triazine
PubChem CID175948777
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(oxan-4-yl)-2H-1,3,5-triazine
SMILESC1=NC=NCN1C1CCOCC1
InChIInChI=1S/C8H13N3O/c1-3-12-4-2-8(1)11-6-9-5-10-7-11/h5-6,8H,1-4,7H2
InChIKeyYAFNFXRISJUOAX-UHFFFAOYSA-N
XLogP0.50
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 90250584
CID 90250584
CID 118973471
CID 118973471
CID 62360995
CID 62360995
CID 62364529
CID 62364529
CID 62364530
CID 62364530
CID 62364531
CID 62364531

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-2H-1,3,5-triazine?
The IUPAC name of 1-(oxan-4-yl)-2H-1,3,5-triazine (CID 175948777) is 1-(oxan-4-yl)-2H-1,3,5-triazine.
What is the SMILES notation for 1-(oxan-4-yl)-2H-1,3,5-triazine?
The canonical SMILES for 1-(oxan-4-yl)-2H-1,3,5-triazine is C1=NC=NCN1C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2H-1,3,5-triazine?
The InChIKey is YAFNFXRISJUOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-12-4-2-8(1)11-6-9-5-10-7-11/h5-6,8H,1-4,7H2.
What are the key properties of 1-(oxan-4-yl)-2H-1,3,5-triazine?
1-(oxan-4-yl)-2H-1,3,5-triazine has a molecular weight of 167.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2H-1,3,5-triazine is sourced from PubChem (CID 175948777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).