2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide

C11H10FN5O — CID 167018407

IUPAC2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1cc(F)cc(-c2nncnn2)c1
InChIInChI=1S/C11H10FN5O/c1-13-10(18)4-7-2-8(5-9(12)3-7)11-16-14-6-15-17-11/h2-3,5-6H,4H2,1H3,(H,13,18)
InChIKeyMXJPPUGGNPRBFW-UHFFFAOYSA-N
MW247.23 g/mol
LogP0.36
Rot. Bonds3

About 2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide

2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide (PubChem CID 167018407) has the molecular formula C11H10FN5O and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide
PubChem CID167018407
Molecular FormulaC11H10FN5O
Molecular Weight247.23 g/mol
Exact Mass247.09
IUPAC Name2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1cc(F)cc(-c2nncnn2)c1
InChIInChI=1S/C11H10FN5O/c1-13-10(18)4-7-2-8(5-9(12)3-7)11-16-14-6-15-17-11/h2-3,5-6H,4H2,1H3,(H,13,18)
InChIKeyMXJPPUGGNPRBFW-UHFFFAOYSA-N
XLogP0.36
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid
CID 166842115
2-[carboxymethyl-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid
CID 166842078
4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 175274182
2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide
CID 22370523
2-(3,5-dihydroxyphenyl)-N-methylacetamide
CID 90280420
2-[2-(3,5-difluorophenyl)-4-methylquinolin-7-yl]-N-methylacetamide
CID 169414079
(2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid
CID 58627720
3-[6-(3-carboxy-5-fluorophenyl)-1,2,4,5-tetrazin-3-yl]-5-(18F)fluoro(18F)benzoic acid
CID 176800034
2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide
CID 85063983
1-(3,5-difluorophenyl)butan-2-one
CID 61496651
2-[[3-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylsulfanyl]-N-methylacetamide
CID 114231754
ethyl 2-[2-[2-(3,5-difluorophenyl)acetyl]hydrazinyl]-2-oxoacetate
CID 156738033

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide?
The IUPAC name of 2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide (CID 167018407) is 2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide is CNC(=O)Cc1cc(F)cc(-c2nncnn2)c1.
What is the InChIKey of 2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide?
The InChIKey is MXJPPUGGNPRBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O/c1-13-10(18)4-7-2-8(5-9(12)3-7)11-16-14-6-15-17-11/h2-3,5-6H,4H2,1H3,(H,13,18).
What are the key properties of 2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide?
2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide has a molecular weight of 247.23 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide is sourced from PubChem (CID 167018407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).