N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide

C12H19N5O — CID 71941249

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCCC1CC2CCC1C2
InChIInChI=1S/C12H19N5O/c18-12(7-17-8-14-15-16-17)13-4-3-11-6-9-1-2-10(11)5-9/h8-11H,1-7H2,(H,13,18)
InChIKeyCIZMEOURSSWIHZ-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.62
Rot. Bonds5

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 71941249) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID71941249
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCCC1CC2CCC1C2
InChIInChI=1S/C12H19N5O/c18-12(7-17-8-14-15-16-17)13-4-3-11-6-9-1-2-10(11)5-9/h8-11H,1-7H2,(H,13,18)
InChIKeyCIZMEOURSSWIHZ-UHFFFAOYSA-N
XLogP0.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyrrolidin-2-ylethyl)-2-(tetrazol-1-yl)acetamide
CID 114793795
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide
CID 94116447
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735957
N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 98786116
N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 98790472
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 71893269
3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide
CID 71938759
1-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(tetrazol-1-yl)ethanone
CID 56878819
7-[[2-(tetrazol-1-yl)acetyl]amino]heptanoic acid
CID 24702857
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 65123925
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71941250

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide (CID 71941249) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NCCC1CC2CCC1C2.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is CIZMEOURSSWIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c18-12(7-17-8-14-15-16-17)13-4-3-11-6-9-1-2-10(11)5-9/h8-11H,1-7H2,(H,13,18).
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 249.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 71941249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).