2,4,6-tri(butan-2-yloxy)-1,3,5-triazine

C15H27N3O3 — CID 139880843

IUPAC2,4,6-tri(butan-2-yloxy)-1,3,5-triazine
SMILESCCC(C)Oc1nc(OC(C)CC)nc(OC(C)CC)n1
InChIInChI=1S/C15H27N3O3/c1-7-10(4)19-13-16-14(20-11(5)8-2)18-15(17-13)21-12(6)9-3/h10-12H,7-9H2,1-6H3
InChIKeySWWSJUPMJLNBKF-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.40
Rot. Bonds9

About 2,4,6-tri(butan-2-yloxy)-1,3,5-triazine

2,4,6-tri(butan-2-yloxy)-1,3,5-triazine (PubChem CID 139880843) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2,4,6-tri(butan-2-yloxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tri(butan-2-yloxy)-1,3,5-triazine
PubChem CID139880843
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2,4,6-tri(butan-2-yloxy)-1,3,5-triazine
SMILESCCC(C)Oc1nc(OC(C)CC)nc(OC(C)CC)n1
InChIInChI=1S/C15H27N3O3/c1-7-10(4)19-13-16-14(20-11(5)8-2)18-15(17-13)21-12(6)9-3/h10-12H,7-9H2,1-6H3
InChIKeySWWSJUPMJLNBKF-UHFFFAOYSA-N
XLogP3.40
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Stk047125
CID 2827992
6-(1-Methylethoxy)-1,3,5-triazine-2,4-diamine
CID 32722
s-Triazine-1,3,5-triamine, hexakis(isopropoxymethyl)-
CID 208792
2,4,6-Triethoxy-1,3,5-triazine
CID 13440
2,4-Dichloro-6-isopropoxy-1,3,5-triazine
CID 23154
s-Triazine, 2-sec-butoxy-4,6-diamino-
CID 119787
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
4,6-Bis(2-methylpropoxy)-1,3,5-triazin-2-amine
CID 172447454
2,4-Bis(tert-butylperoxy)-6-methoxy-1,3,5-triazine
CID 12735844
2,4,6-Tributoxy-1,3,5-triazine
CID 29832
1,3,5-Triazine, 2,4,6-tris(1,1-dimethylethoxy)-
CID 231873
2,4-Difluoro-6-propan-2-yloxy-1,3,5-triazine
CID 20034770

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(butan-2-yloxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tri(butan-2-yloxy)-1,3,5-triazine (CID 139880843) is 2,4,6-tri(butan-2-yloxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tri(butan-2-yloxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tri(butan-2-yloxy)-1,3,5-triazine is CCC(C)Oc1nc(OC(C)CC)nc(OC(C)CC)n1.
What is the InChIKey of 2,4,6-tri(butan-2-yloxy)-1,3,5-triazine?
The InChIKey is SWWSJUPMJLNBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-7-10(4)19-13-16-14(20-11(5)8-2)18-15(17-13)21-12(6)9-3/h10-12H,7-9H2,1-6H3.
What are the key properties of 2,4,6-tri(butan-2-yloxy)-1,3,5-triazine?
2,4,6-tri(butan-2-yloxy)-1,3,5-triazine has a molecular weight of 297.40 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(butan-2-yloxy)-1,3,5-triazine is sourced from PubChem (CID 139880843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).