ethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide

C17H23N5O2 — CID 144774247

IUPACethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide
SMILESCC.CC(=O)CCCC(=O)NCc1ccc(-c2nncnn2)cc1
InChIInChI=1S/C15H17N5O2.C2H6/c1-11(21)3-2-4-14(22)16-9-12-5-7-13(8-6-12)15-19-17-10-18-20-15;1-2/h5-8,10H,2-4,9H2,1H3,(H,16,22);1-2H3
InChIKeyIEJSSYSMFJZYSL-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.34
Rot. Bonds7

About ethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide

ethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide (PubChem CID 144774247) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide.

Molecular Properties

Compound Nameethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide
PubChem CID144774247
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Nameethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide
SMILESCC.CC(=O)CCCC(=O)NCc1ccc(-c2nncnn2)cc1
InChIInChI=1S/C15H17N5O2.C2H6/c1-11(21)3-2-4-14(22)16-9-12-5-7-13(8-6-12)15-19-17-10-18-20-15;1-2/h5-8,10H,2-4,9H2,1H3,(H,16,22);1-2H3
InChIKeyIEJSSYSMFJZYSL-UHFFFAOYSA-N
XLogP2.34
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide
CID 144632143
3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 169225264
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pentanamide
CID 146673099
1-(4-methylphenyl)-9-[4-(1,2,4,5-tetrazin-3-yl)phenyl]nonane-3,7-dione
CID 158860788
N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 145152753
N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide
CID 164536999
4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid
CID 119165562
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide
CID 169205451
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138393283
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138454883
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138454889

Frequently Asked Questions

What is the IUPAC name of ethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide?
The IUPAC name of ethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide (CID 144774247) is ethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide.
What is the SMILES notation for ethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide?
The canonical SMILES for ethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide is CC.CC(=O)CCCC(=O)NCc1ccc(-c2nncnn2)cc1.
What is the InChIKey of ethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide?
The InChIKey is IEJSSYSMFJZYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2.C2H6/c1-11(21)3-2-4-14(22)16-9-12-5-7-13(8-6-12)15-19-17-10-18-20-15;1-2/h5-8,10H,2-4,9H2,1H3,(H,16,22);1-2H3.
What are the key properties of ethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide?
ethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide has a molecular weight of 329.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide is sourced from PubChem (CID 144774247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).