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

C11H18ClN5O — CID 154122895

IUPACN-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide
SMILESCCN(CC)c1nc(Cl)nc(N(CC)C(C)=O)n1
InChIInChI=1S/C11H18ClN5O/c1-5-16(6-2)10-13-9(12)14-11(15-10)17(7-3)8(4)18/h5-7H2,1-4H3
InChIKeyYAWIIPNSTOMXFJ-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.74
Rot. Bonds5

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

N-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide (PubChem CID 154122895) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is N-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide
PubChem CID154122895
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC NameN-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide
SMILESCCN(CC)c1nc(Cl)nc(N(CC)C(C)=O)n1
InChIInChI=1S/C11H18ClN5O/c1-5-16(6-2)10-13-9(12)14-11(15-10)17(7-3)8(4)18/h5-7H2,1-4H3
InChIKeyYAWIIPNSTOMXFJ-UHFFFAOYSA-N
XLogP1.74
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide (CID 154122895) is N-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide is CCN(CC)c1nc(Cl)nc(N(CC)C(C)=O)n1.
What is the InChIKey of N-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide?
The InChIKey is YAWIIPNSTOMXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-5-16(6-2)10-13-9(12)14-11(15-10)17(7-3)8(4)18/h5-7H2,1-4H3.
What are the key properties of N-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide?
N-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide has a molecular weight of 271.75 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide is sourced from PubChem (CID 154122895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).