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

C8H12ClN3O2 — CID 62857706

IUPAC2-chloro-4-ethoxy-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C8H12ClN3O2/c1-3-5-14-8-11-6(9)10-7(12-8)13-4-2/h3-5H2,1-2H3
InChIKeyUGBGDZVRZNSZBP-UHFFFAOYSA-N
MW217.66 g/mol
LogP1.71
Rot. Bonds5

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

2-chloro-4-ethoxy-6-propoxy-1,3,5-triazine (PubChem CID 62857706) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-propoxy-1,3,5-triazine
PubChem CID62857706
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name2-chloro-4-ethoxy-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C8H12ClN3O2/c1-3-5-14-8-11-6(9)10-7(12-8)13-4-2/h3-5H2,1-2H3
InChIKeyUGBGDZVRZNSZBP-UHFFFAOYSA-N
XLogP1.71
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Stk047125
CID 2827992
6-Propoxy-1,3,5-triazine-2,4-diamine
CID 22729
2-Butoxy-4,6-dichloro-1,3,5-triazine
CID 26302
2,4,6-Triethoxy-1,3,5-triazine
CID 13440
2,4-Dichloro-6-isopropoxy-1,3,5-triazine
CID 23154
2,4-Dichloro-6-ethoxy-1,3,5-triazine
CID 29035
2,4-Dichloro-6-propoxy-1,3,5-triazine
CID 33570
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
2,4,6-Tris(2-chloroethoxy)-1,3,5-triazine
CID 13742
2,4,6-Tributoxy-1,3,5-triazine
CID 29832
2,4-Dichloro-6-(2-methoxyethoxy)-1,3,5-triazine
CID 19026146
2-Chloro-4,6-di-(2-methoxyethoxy)-1,3,5-triazine
CID 85702124

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-propoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-propoxy-1,3,5-triazine (CID 62857706) is 2-chloro-4-ethoxy-6-propoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-propoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-propoxy-1,3,5-triazine is CCCOc1nc(Cl)nc(OCC)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-propoxy-1,3,5-triazine?
The InChIKey is UGBGDZVRZNSZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-3-5-14-8-11-6(9)10-7(12-8)13-4-2/h3-5H2,1-2H3.
What are the key properties of 2-chloro-4-ethoxy-6-propoxy-1,3,5-triazine?
2-chloro-4-ethoxy-6-propoxy-1,3,5-triazine has a molecular weight of 217.66 g/mol, XLogP of 1.71, 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-propoxy-1,3,5-triazine is sourced from PubChem (CID 62857706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).