2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine

C8H8ClN3O2 — CID 62857198

IUPAC2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine
SMILESC#CCOc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C8H8ClN3O2/c1-3-5-14-8-11-6(9)10-7(12-8)13-4-2/h1H,4-5H2,2H3
InChIKeyLDHFBNHIBIDHTC-UHFFFAOYSA-N
MW213.62 g/mol
LogP0.94
Rot. Bonds4

About 2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine

2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine (PubChem CID 62857198) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine
PubChem CID62857198
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine
SMILESC#CCOc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C8H8ClN3O2/c1-3-5-14-8-11-6(9)10-7(12-8)13-4-2/h1H,4-5H2,2H3
InChIKeyLDHFBNHIBIDHTC-UHFFFAOYSA-N
XLogP0.94
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine (CID 62857198) is 2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine is C#CCOc1nc(Cl)nc(OCC)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine?
The InChIKey is LDHFBNHIBIDHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c1-3-5-14-8-11-6(9)10-7(12-8)13-4-2/h1H,4-5H2,2H3.
What are the key properties of 2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine?
2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine has a molecular weight of 213.62 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-prop-2-ynoxy-1,3,5-triazine is sourced from PubChem (CID 62857198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).