N-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide

C9H14FN5O — CID 154379229

IUPACN-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide
SMILESCCNc1nc(F)nc(N(CC)C(C)=O)n1
InChIInChI=1S/C9H14FN5O/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)
InChIKeyQYJKFDPOTWZKCJ-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.82
Rot. Bonds4

About N-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide

N-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide (PubChem CID 154379229) has the molecular formula C9H14FN5O and a molecular weight of 227.24 g/mol. Its IUPAC name is N-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide
PubChem CID154379229
Molecular FormulaC9H14FN5O
Molecular Weight227.24 g/mol
Exact Mass227.12
IUPAC NameN-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide
SMILESCCNc1nc(F)nc(N(CC)C(C)=O)n1
InChIInChI=1S/C9H14FN5O/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)
InChIKeyQYJKFDPOTWZKCJ-UHFFFAOYSA-N
XLogP0.82
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide (CID 154379229) is N-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide is CCNc1nc(F)nc(N(CC)C(C)=O)n1.
What is the InChIKey of N-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide?
The InChIKey is QYJKFDPOTWZKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN5O/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-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide?
N-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide has a molecular weight of 227.24 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-(ethylamino)-6-fluoro-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 154379229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).