2-propoxy-1,3,5-triazine

C6H9N3O — CID 19823942

IUPAC2-propoxy-1,3,5-triazine
SMILESCCCOc1ncncn1
InChIInChI=1S/C6H9N3O/c1-2-3-10-6-8-4-7-5-9-6/h4-5H,2-3H2,1H3
InChIKeyOHVVTDKYLMOKDH-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.66
Rot. Bonds3

About 2-propoxy-1,3,5-triazine

2-propoxy-1,3,5-triazine (PubChem CID 19823942) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-propoxy-1,3,5-triazine
PubChem CID19823942
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-propoxy-1,3,5-triazine
SMILESCCCOc1ncncn1
InChIInChI=1S/C6H9N3O/c1-2-3-10-6-8-4-7-5-9-6/h4-5H,2-3H2,1H3
InChIKeyOHVVTDKYLMOKDH-UHFFFAOYSA-N
XLogP0.66
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1,3,5-triazine?
The IUPAC name of 2-propoxy-1,3,5-triazine (CID 19823942) is 2-propoxy-1,3,5-triazine.
What is the SMILES notation for 2-propoxy-1,3,5-triazine?
The canonical SMILES for 2-propoxy-1,3,5-triazine is CCCOc1ncncn1.
What is the InChIKey of 2-propoxy-1,3,5-triazine?
The InChIKey is OHVVTDKYLMOKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-3-10-6-8-4-7-5-9-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-propoxy-1,3,5-triazine?
2-propoxy-1,3,5-triazine has a molecular weight of 139.16 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1,3,5-triazine is sourced from PubChem (CID 19823942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).