2,4,6-tributoxy-1,3,5-triazine

C15H27N3O3 — CID 29832

IUPAC2,4,6-tributoxy-1,3,5-triazine
SMILESCCCCOc1nc(OCCCC)nc(OCCCC)n1
InChIInChI=1S/C15H27N3O3/c1-4-7-10-19-13-16-14(20-11-8-5-2)18-15(17-13)21-12-9-6-3/h4-12H2,1-3H3
InChIKeyRFWINRJWJPNZQG-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.41
Rot. Bonds12

About 2,4,6-tributoxy-1,3,5-triazine

2,4,6-tributoxy-1,3,5-triazine (PubChem CID 29832) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2,4,6-tributoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tributoxy-1,3,5-triazine
PubChem CID29832
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2,4,6-tributoxy-1,3,5-triazine
SMILESCCCCOc1nc(OCCCC)nc(OCCCC)n1
InChIInChI=1S/C15H27N3O3/c1-4-7-10-19-13-16-14(20-11-8-5-2)18-15(17-13)21-12-9-6-3/h4-12H2,1-3H3
InChIKeyRFWINRJWJPNZQG-UHFFFAOYSA-N
XLogP3.41
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-Diamino-6-butoxy-s-triazine
CID 32856
s-Triazine, 4,6-diamino-2-pentoxy-
CID 35117
2,4,6-Triethoxy-1,3,5-triazine
CID 13440
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
2,4,6-Trihexyloxy-sym-triazine
CID 129818487
4,6-Bis(2-methylpropoxy)-1,3,5-triazin-2-amine
CID 172447454
1,3,5-Triazine, 2,4,6-tris(1,1-dimethylethoxy)-
CID 231873
2-Butoxy-4,6-difluoro-1,3,5-triazine
CID 20403086
2-Butoxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 117711198

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tributoxy-1,3,5-triazine?
The IUPAC name of 2,4,6-tributoxy-1,3,5-triazine (CID 29832) is 2,4,6-tributoxy-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tributoxy-1,3,5-triazine?
The canonical SMILES for 2,4,6-tributoxy-1,3,5-triazine is CCCCOc1nc(OCCCC)nc(OCCCC)n1.
What is the InChIKey of 2,4,6-tributoxy-1,3,5-triazine?
The InChIKey is RFWINRJWJPNZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-4-7-10-19-13-16-14(20-11-8-5-2)18-15(17-13)21-12-9-6-3/h4-12H2,1-3H3.
What are the key properties of 2,4,6-tributoxy-1,3,5-triazine?
2,4,6-tributoxy-1,3,5-triazine has a molecular weight of 297.40 g/mol, XLogP of 3.41, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tributoxy-1,3,5-triazine is sourced from PubChem (CID 29832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).