2-chloro-4-ethoxy-6-methyl-1,3,5-triazine

C6H8ClN3O — CID 19100557

IUPAC2-chloro-4-ethoxy-6-methyl-1,3,5-triazine
SMILESCCOc1nc(C)nc(Cl)n1
InChIInChI=1S/C6H8ClN3O/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3
InChIKeyRDUXVIYTDBTLDR-UHFFFAOYSA-N
MW173.60 g/mol
LogP1.23
Rot. Bonds2

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

2-chloro-4-ethoxy-6-methyl-1,3,5-triazine (PubChem CID 19100557) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-methyl-1,3,5-triazine
PubChem CID19100557
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name2-chloro-4-ethoxy-6-methyl-1,3,5-triazine
SMILESCCOc1nc(C)nc(Cl)n1
InChIInChI=1S/C6H8ClN3O/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3
InChIKeyRDUXVIYTDBTLDR-UHFFFAOYSA-N
XLogP1.23
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-methoxy-6-methyl-1,3,5-triazine
CID 15466
4-Ethoxy-6-methyl-1,3,5-triazin-2-amine
CID 77490
2-Ethoxy-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 35579
1,3,5-Triazin-2-amine, 4-ethoxy-6-ethyl-
CID 121205
1,3,5-Triazin-2-amine, 4-(2-methoxyethoxy)-6-methyl-
CID 3044260
1,3,5-Triazine, 2,4-dimethoxy-6-methyl-
CID 19904
4-Chloromethyl-6-ethoxy-1,3,5-triazin-2-amine
CID 589056
2-Methoxy-4,6-dimethyl-1,3,5-triazine
CID 19197
2-(Chloromethyl)-4,6-dimethoxy-1,3,5-triazine
CID 35567
2-Chloro-4-methoxy-6-methyl-1,3,5-triazine
CID 19392079
2-Chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 20702269
2-Chloro-1,4-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-1-ium
CID 123624110

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-methyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-methyl-1,3,5-triazine (CID 19100557) is 2-chloro-4-ethoxy-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-methyl-1,3,5-triazine is CCOc1nc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-methyl-1,3,5-triazine?
The InChIKey is RDUXVIYTDBTLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3.
What are the key properties of 2-chloro-4-ethoxy-6-methyl-1,3,5-triazine?
2-chloro-4-ethoxy-6-methyl-1,3,5-triazine has a molecular weight of 173.60 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-methyl-1,3,5-triazine is sourced from PubChem (CID 19100557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).