2,4-dichloro-6-tetradecoxy-1,3,5-triazine

C17H29Cl2N3O — CID 11970987

IUPAC2,4-dichloro-6-tetradecoxy-1,3,5-triazine
SMILESCCCCCCCCCCCCCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C17H29Cl2N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-17-21-15(18)20-16(19)22-17/h2-14H2,1H3
InChIKeyADPXJENOKRHJCX-UHFFFAOYSA-N
MW362.35 g/mol
LogP6.26
Rot. Bonds14

About 2,4-dichloro-6-tetradecoxy-1,3,5-triazine

2,4-dichloro-6-tetradecoxy-1,3,5-triazine (PubChem CID 11970987) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 2,4-dichloro-6-tetradecoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-tetradecoxy-1,3,5-triazine
PubChem CID11970987
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name2,4-dichloro-6-tetradecoxy-1,3,5-triazine
SMILESCCCCCCCCCCCCCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C17H29Cl2N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-17-21-15(18)20-16(19)22-17/h2-14H2,1H3
InChIKeyADPXJENOKRHJCX-UHFFFAOYSA-N
XLogP6.26
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.35
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-tetradecoxy-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-tetradecoxy-1,3,5-triazine (CID 11970987) is 2,4-dichloro-6-tetradecoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-tetradecoxy-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-tetradecoxy-1,3,5-triazine is CCCCCCCCCCCCCCOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-tetradecoxy-1,3,5-triazine?
The InChIKey is ADPXJENOKRHJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29Cl2N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-17-21-15(18)20-16(19)22-17/h2-14H2,1H3.
What are the key properties of 2,4-dichloro-6-tetradecoxy-1,3,5-triazine?
2,4-dichloro-6-tetradecoxy-1,3,5-triazine has a molecular weight of 362.35 g/mol, XLogP of 6.26, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-tetradecoxy-1,3,5-triazine is sourced from PubChem (CID 11970987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).