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

C6H6Cl2N4O — CID 20562298

IUPACN-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylformamide
SMILESCCN(C=O)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H6Cl2N4O/c1-2-12(3-13)6-10-4(7)9-5(8)11-6/h3H,2H2,1H3
InChIKeyPAOCNONHSGOEGA-UHFFFAOYSA-N
MW221.05 g/mol
LogP1.16
Rot. Bonds3

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

N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylformamide (PubChem CID 20562298) has the molecular formula C6H6Cl2N4O and a molecular weight of 221.05 g/mol. Its IUPAC name is N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylformamide.

Molecular Properties

Compound NameN-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylformamide
PubChem CID20562298
Molecular FormulaC6H6Cl2N4O
Molecular Weight221.05 g/mol
Exact Mass219.99
IUPAC NameN-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylformamide
SMILESCCN(C=O)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H6Cl2N4O/c1-2-12(3-13)6-10-4(7)9-5(8)11-6/h3H,2H2,1H3
InChIKeyPAOCNONHSGOEGA-UHFFFAOYSA-N
XLogP1.16
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide
CID 19736187
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-ethylcarbamoyl chloride
CID 88825001
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylacetamide
CID 154099281

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylformamide?
The IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylformamide (CID 20562298) is N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylformamide.
What is the SMILES notation for N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylformamide?
The canonical SMILES for N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylformamide is CCN(C=O)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylformamide?
The InChIKey is PAOCNONHSGOEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N4O/c1-2-12(3-13)6-10-4(7)9-5(8)11-6/h3H,2H2,1H3.
What are the key properties of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylformamide?
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylformamide has a molecular weight of 221.05 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylformamide is sourced from PubChem (CID 20562298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).