2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine

C11H17N3O2 — CID 102586828

IUPAC2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine
SMILESCCCC/C=C/c1nc(OC)nc(OC)n1
InChIInChI=1S/C11H17N3O2/c1-4-5-6-7-8-9-12-10(15-2)14-11(13-9)16-3/h7-8H,4-6H2,1-3H3/b8-7+
InChIKeyWTYDNPQHDMQAMD-BQYQJAHWSA-N
MW223.28 g/mol
LogP2.09
Rot. Bonds6

About 2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine

2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine (PubChem CID 102586828) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine
PubChem CID102586828
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine
SMILESCCCC/C=C/c1nc(OC)nc(OC)n1
InChIInChI=1S/C11H17N3O2/c1-4-5-6-7-8-9-12-10(15-2)14-11(13-9)16-3/h7-8H,4-6H2,1-3H3/b8-7+
InChIKeyWTYDNPQHDMQAMD-BQYQJAHWSA-N
XLogP2.09
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine (CID 102586828) is 2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine is CCCC/C=C/c1nc(OC)nc(OC)n1.
What is the InChIKey of 2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is WTYDNPQHDMQAMD-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-5-6-7-8-9-12-10(15-2)14-11(13-9)16-3/h7-8H,4-6H2,1-3H3/b8-7+.
What are the key properties of 2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine?
2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 223.28 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 102586828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).