2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine

C7H6Cl2N4 — CID 15403527

IUPAC2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine
SMILESCN(C)C#Cc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H6Cl2N4/c1-13(2)4-3-5-10-6(8)12-7(9)11-5/h1-2H3
InChIKeyKXRVRECRFHWURS-UHFFFAOYSA-N
MW217.06 g/mol
LogP1.05
Rot. Bonds

About 2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine

2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine (PubChem CID 15403527) has the molecular formula C7H6Cl2N4 and a molecular weight of 217.06 g/mol. Its IUPAC name is 2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine.

Molecular Properties

Compound Name2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine
PubChem CID15403527
Molecular FormulaC7H6Cl2N4
Molecular Weight217.06 g/mol
Exact Mass216.00
IUPAC Name2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine
SMILESCN(C)C#Cc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H6Cl2N4/c1-13(2)4-3-5-10-6(8)12-7(9)11-5/h1-2H3
InChIKeyKXRVRECRFHWURS-UHFFFAOYSA-N
XLogP1.05
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine?
The IUPAC name of 2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine (CID 15403527) is 2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine.
What is the SMILES notation for 2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine?
The canonical SMILES for 2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine is CN(C)C#Cc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine?
The InChIKey is KXRVRECRFHWURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N4/c1-13(2)4-3-5-10-6(8)12-7(9)11-5/h1-2H3.
What are the key properties of 2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine?
2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine has a molecular weight of 217.06 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-1,3,5-triazin-2-yl)-N,N-dimethylethynamine is sourced from PubChem (CID 15403527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).