2-chloro-4,6-dipropoxy-1,3,5-triazine

C9H14ClN3O2 — CID 22227779

IUPAC2-chloro-4,6-dipropoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C9H14ClN3O2/c1-3-5-14-8-11-7(10)12-9(13-8)15-6-4-2/h3-6H2,1-2H3
InChIKeyXUPBSOXSFSWYIV-UHFFFAOYSA-N
MW231.68 g/mol
LogP2.10
Rot. Bonds6

About 2-chloro-4,6-dipropoxy-1,3,5-triazine

2-chloro-4,6-dipropoxy-1,3,5-triazine (PubChem CID 22227779) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-chloro-4,6-dipropoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-dipropoxy-1,3,5-triazine
PubChem CID22227779
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name2-chloro-4,6-dipropoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C9H14ClN3O2/c1-3-5-14-8-11-7(10)12-9(13-8)15-6-4-2/h3-6H2,1-2H3
InChIKeyXUPBSOXSFSWYIV-UHFFFAOYSA-N
XLogP2.10
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 52.10
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-4,6-dipropoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-dipropoxy-1,3,5-triazine (CID 22227779) is 2-chloro-4,6-dipropoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-dipropoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-dipropoxy-1,3,5-triazine is CCCOc1nc(Cl)nc(OCCC)n1.
What is the InChIKey of 2-chloro-4,6-dipropoxy-1,3,5-triazine?
The InChIKey is XUPBSOXSFSWYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-3-5-14-8-11-7(10)12-9(13-8)15-6-4-2/h3-6H2,1-2H3.
What are the key properties of 2-chloro-4,6-dipropoxy-1,3,5-triazine?
2-chloro-4,6-dipropoxy-1,3,5-triazine has a molecular weight of 231.68 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dipropoxy-1,3,5-triazine is sourced from PubChem (CID 22227779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).