N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide

C11H16ClN5O2 — CID 19987

IUPACN-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(Cl)nc(N(CC)C(C)=O)n1
InChIInChI=1S/C11H16ClN5O2/c1-5-16(7(3)18)10-13-9(12)14-11(15-10)17(6-2)8(4)19/h5-6H2,1-4H3
InChIKeySQUXLHQCJLVTRF-UHFFFAOYSA-N
MW285.74 g/mol
LogP1.27
Rot. Bonds4

About N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide

N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide (PubChem CID 19987) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide
PubChem CID19987
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC NameN-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(Cl)nc(N(CC)C(C)=O)n1
InChIInChI=1S/C11H16ClN5O2/c1-5-16(7(3)18)10-13-9(12)14-11(15-10)17(6-2)8(4)19/h5-6H2,1-4H3
InChIKeySQUXLHQCJLVTRF-UHFFFAOYSA-N
XLogP1.27
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide (CID 19987) is N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(Cl)nc(N(CC)C(C)=O)n1.
What is the InChIKey of N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide?
The InChIKey is SQUXLHQCJLVTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-5-16(7(3)18)10-13-9(12)14-11(15-10)17(6-2)8(4)19/h5-6H2,1-4H3.
What are the key properties of N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide?
N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide has a molecular weight of 285.74 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide is sourced from PubChem (CID 19987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).