N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide

C15H18N8O2 — CID 91786758

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide
SMILESCCC(NC(=O)c1cc(-n2cnnn2)ccc1O)c1ncnn1CC
InChIInChI=1S/C15H18N8O2/c1-3-12(14-16-8-18-22(14)4-2)19-15(25)11-7-10(5-6-13(11)24)23-9-17-20-21-23/h5-9,12,24H,3-4H2,1-2H3,(H,19,25)
InChIKeyLQOJXXZBWIGRBJ-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.86
Rot. Bonds6

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide

N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide (PubChem CID 91786758) has the molecular formula C15H18N8O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide
PubChem CID91786758
Molecular FormulaC15H18N8O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide
SMILESCCC(NC(=O)c1cc(-n2cnnn2)ccc1O)c1ncnn1CC
InChIInChI=1S/C15H18N8O2/c1-3-12(14-16-8-18-22(14)4-2)19-15(25)11-7-10(5-6-13(11)24)23-9-17-20-21-23/h5-9,12,24H,3-4H2,1-2H3,(H,19,25)
InChIKeyLQOJXXZBWIGRBJ-UHFFFAOYSA-N
XLogP0.86
TPSA123.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42571405
N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215
2-hydroxy-5-(tetrazol-1-yl)benzoic acid
CID 3136529
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-4-(tetrazol-1-yl)benzamide
CID 50980294
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-triazole-4-carboxamide
CID 125448522
3-(2-ethyl-1,2,4-triazol-3-yl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 169414026
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-(triazol-1-yl)acetamide
CID 126442236
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,4,4-trifluorobutanamide
CID 91796632
3-[4-(ethylamino)pyrimidin-2-yl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 126449545
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide
CID 125437788
(E)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-phenylprop-2-enamide
CID 125447530

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide (CID 91786758) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide is CCC(NC(=O)c1cc(-n2cnnn2)ccc1O)c1ncnn1CC.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide?
The InChIKey is LQOJXXZBWIGRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O2/c1-3-12(14-16-8-18-22(14)4-2)19-15(25)11-7-10(5-6-13(11)24)23-9-17-20-21-23/h5-9,12,24H,3-4H2,1-2H3,(H,19,25).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide has a molecular weight of 342.36 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-hydroxy-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 91786758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).