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

C10H16ClN5O — CID 154190634

IUPACN-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylpropanamide
SMILESCCNc1nc(Cl)nc(N(CC)C(=O)CC)n1
InChIInChI=1S/C10H16ClN5O/c1-4-7(17)16(6-3)10-14-8(11)13-9(15-10)12-5-2/h4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyYFYJPQFCQUAXHU-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.72
Rot. Bonds5

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

N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylpropanamide (PubChem CID 154190634) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylpropanamide
PubChem CID154190634
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC NameN-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylpropanamide
SMILESCCNc1nc(Cl)nc(N(CC)C(=O)CC)n1
InChIInChI=1S/C10H16ClN5O/c1-4-7(17)16(6-3)10-14-8(11)13-9(15-10)12-5-2/h4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyYFYJPQFCQUAXHU-UHFFFAOYSA-N
XLogP1.72
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.72
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-ethylpropanamide?
The IUPAC name of N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylpropanamide (CID 154190634) is N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylpropanamide.
What is the SMILES notation for N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylpropanamide?
The canonical SMILES for N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylpropanamide is CCNc1nc(Cl)nc(N(CC)C(=O)CC)n1.
What is the InChIKey of N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylpropanamide?
The InChIKey is YFYJPQFCQUAXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-4-7(17)16(6-3)10-14-8(11)13-9(15-10)12-5-2/h4-6H2,1-3H3,(H,12,13,14,15).
What are the key properties of N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylpropanamide?
N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylpropanamide has a molecular weight of 257.72 g/mol, XLogP of 1.72, 5 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-ethylpropanamide is sourced from PubChem (CID 154190634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).