4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide

C12H11F2N5O — CID 114389554

IUPAC4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide
SMILESCCNc1c(F)cc(C(=O)Nc2nccnn2)cc1F
InChIInChI=1S/C12H11F2N5O/c1-2-15-10-8(13)5-7(6-9(10)14)11(20)18-12-16-3-4-17-19-12/h3-6,15H,2H2,1H3,(H,16,18,19,20)
InChIKeyYRFAUUAOXYZJQK-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.83
Rot. Bonds4

About 4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide

4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide (PubChem CID 114389554) has the molecular formula C12H11F2N5O and a molecular weight of 279.25 g/mol. Its IUPAC name is 4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide.

Molecular Properties

Compound Name4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide
PubChem CID114389554
Molecular FormulaC12H11F2N5O
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide
SMILESCCNc1c(F)cc(C(=O)Nc2nccnn2)cc1F
InChIInChI=1S/C12H11F2N5O/c1-2-15-10-8(13)5-7(6-9(10)14)11(20)18-12-16-3-4-17-19-12/h3-6,15H,2H2,1H3,(H,16,18,19,20)
InChIKeyYRFAUUAOXYZJQK-UHFFFAOYSA-N
XLogP1.83
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(propylamino)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389488
4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CID 63187176
4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide
CID 83025049
3-amino-4-fluoro-N-(1,2,4-triazin-3-yl)benzamide
CID 114386756
4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide
CID 63187094
N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide
CID 63187369
4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 63183718
4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide
CID 114387361
2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
CID 114387350
4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 63185971
4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide
CID 63184100
4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389539

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide?
The IUPAC name of 4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide (CID 114389554) is 4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide.
What is the SMILES notation for 4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide?
The canonical SMILES for 4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide is CCNc1c(F)cc(C(=O)Nc2nccnn2)cc1F.
What is the InChIKey of 4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide?
The InChIKey is YRFAUUAOXYZJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5O/c1-2-15-10-8(13)5-7(6-9(10)14)11(20)18-12-16-3-4-17-19-12/h3-6,15H,2H2,1H3,(H,16,18,19,20).
What are the key properties of 4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide?
4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide has a molecular weight of 279.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3,5-difluoro-N-(1,2,4-triazin-3-yl)benzamide is sourced from PubChem (CID 114389554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).