2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine

C11H15N3O2 — CID 23247536

IUPAC2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine
SMILESCCC(C)C#Cc1nc(OC)nc(OC)n1
InChIInChI=1S/C11H15N3O2/c1-5-8(2)6-7-9-12-10(15-3)14-11(13-9)16-4/h8H,5H2,1-4H3
InChIKeyGSZWZCMAVXCFEP-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.29
Rot. Bonds3

About 2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine

2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine (PubChem CID 23247536) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine
PubChem CID23247536
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine
SMILESCCC(C)C#Cc1nc(OC)nc(OC)n1
InChIInChI=1S/C11H15N3O2/c1-5-8(2)6-7-9-12-10(15-3)14-11(13-9)16-4/h8H,5H2,1-4H3
InChIKeyGSZWZCMAVXCFEP-UHFFFAOYSA-N
XLogP1.29
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine (CID 23247536) is 2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine is CCC(C)C#Cc1nc(OC)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine?
The InChIKey is GSZWZCMAVXCFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-5-8(2)6-7-9-12-10(15-3)14-11(13-9)16-4/h8H,5H2,1-4H3.
What are the key properties of 2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine?
2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine has a molecular weight of 221.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(3-methylpent-1-ynyl)-1,3,5-triazine is sourced from PubChem (CID 23247536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).