2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine

C11H16ClN3O2 — CID 10355128

IUPAC2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine
SMILESC=CCOc1nc(Cl)nc(OCCCCC)n1
InChIInChI=1S/C11H16ClN3O2/c1-3-5-6-8-17-11-14-9(12)13-10(15-11)16-7-4-2/h4H,2-3,5-8H2,1H3
InChIKeyXFTGLIUVDLFXLF-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.66
Rot. Bonds8

About 2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine

2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine (PubChem CID 10355128) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine
PubChem CID10355128
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine
SMILESC=CCOc1nc(Cl)nc(OCCCCC)n1
InChIInChI=1S/C11H16ClN3O2/c1-3-5-6-8-17-11-14-9(12)13-10(15-11)16-7-4-2/h4H,2-3,5-8H2,1H3
InChIKeyXFTGLIUVDLFXLF-UHFFFAOYSA-N
XLogP2.66
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine (CID 10355128) is 2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine is C=CCOc1nc(Cl)nc(OCCCCC)n1.
What is the InChIKey of 2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine?
The InChIKey is XFTGLIUVDLFXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-3-5-6-8-17-11-14-9(12)13-10(15-11)16-7-4-2/h4H,2-3,5-8H2,1H3.
What are the key properties of 2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine?
2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine has a molecular weight of 257.72 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pentoxy-6-prop-2-enoxy-1,3,5-triazine is sourced from PubChem (CID 10355128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).