2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine

C10H14ClN3O2 — CID 76951025

IUPAC2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine
SMILESCC=CCOc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C10H14ClN3O2/c1-4-5-6-15-9-12-8(11)13-10(14-9)16-7(2)3/h4-5,7H,6H2,1-3H3
InChIKeyREAABQFMWDROKM-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.27
Rot. Bonds5

About 2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine

2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 76951025) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine
PubChem CID76951025
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine
SMILESCC=CCOc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C10H14ClN3O2/c1-4-5-6-15-9-12-8(11)13-10(14-9)16-7(2)3/h4-5,7H,6H2,1-3H3
InChIKeyREAABQFMWDROKM-UHFFFAOYSA-N
XLogP2.27
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine (CID 76951025) is 2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine is CC=CCOc1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of 2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is REAABQFMWDROKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-4-5-6-15-9-12-8(11)13-10(14-9)16-7(2)3/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine?
2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 243.69 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enoxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 76951025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).