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

C8H10ClN3O2 — CID 62857200

IUPAC2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine
SMILESC=CCOc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C8H10ClN3O2/c1-3-5-14-8-11-6(9)10-7(12-8)13-4-2/h3H,1,4-5H2,2H3
InChIKeyONCJMAJAARDNRO-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.49
Rot. Bonds5

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

2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine (PubChem CID 62857200) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine
PubChem CID62857200
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine
SMILESC=CCOc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C8H10ClN3O2/c1-3-5-14-8-11-6(9)10-7(12-8)13-4-2/h3H,1,4-5H2,2H3
InChIKeyONCJMAJAARDNRO-UHFFFAOYSA-N
XLogP1.49
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine
CID 76950863
4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80867945
2-chloro-4-ethoxy-6-hexoxy-1,3,5-triazine
CID 62857023
2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine
CID 65043148
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 55124601
2-chloro-4-cyclohexyloxy-6-ethoxy-1,3,5-triazine
CID 62858018
2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine
CID 62859372
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxy]ethanol
CID 19894488
2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
CID 113324560
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402
N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 80868544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine (CID 62857200) is 2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine is C=CCOc1nc(Cl)nc(OCC)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine?
The InChIKey is ONCJMAJAARDNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-3-5-14-8-11-6(9)10-7(12-8)13-4-2/h3H,1,4-5H2,2H3.
What are the key properties of 2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine?
2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine has a molecular weight of 215.64 g/mol, XLogP of 1.49, 5 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-enoxy-1,3,5-triazine is sourced from PubChem (CID 62857200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).