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

C9H14ClN5O — CID 154089981

IUPACN-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide
SMILESCCNc1nc(Cl)nc(N(CC)C(C)=O)n1
InChIInChI=1S/C9H14ClN5O/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6(3)16/h4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyPPEKKWSRLGWVGC-UHFFFAOYSA-N
MW243.70 g/mol
LogP1.33
Rot. Bonds4

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

N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide (PubChem CID 154089981) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide
PubChem CID154089981
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC NameN-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide
SMILESCCNc1nc(Cl)nc(N(CC)C(C)=O)n1
InChIInChI=1S/C9H14ClN5O/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6(3)16/h4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyPPEKKWSRLGWVGC-UHFFFAOYSA-N
XLogP1.33
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide (CID 154089981) is N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide is CCNc1nc(Cl)nc(N(CC)C(C)=O)n1.
What is the InChIKey of N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide?
The InChIKey is PPEKKWSRLGWVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6(3)16/h4-5H2,1-3H3,(H,11,12,13,14).
What are the key properties of N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide?
N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide has a molecular weight of 243.70 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide is sourced from PubChem (CID 154089981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).