1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone

C10H16N6O — CID 61235148

IUPAC1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone
SMILESNC1CC2CCC(C1)N2C(=O)Cn1cnnn1
InChIInChI=1S/C10H16N6O/c11-7-3-8-1-2-9(4-7)16(8)10(17)5-15-6-12-13-14-15/h6-9H,1-5,11H2
InChIKeyMPTGXOMYJMXSNM-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.85
Rot. Bonds2

About 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone

1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone (PubChem CID 61235148) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone
PubChem CID61235148
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone
SMILESNC1CC2CCC(C1)N2C(=O)Cn1cnnn1
InChIInChI=1S/C10H16N6O/c11-7-3-8-1-2-9(4-7)16(8)10(17)5-15-6-12-13-14-15/h6-9H,1-5,11H2
InChIKeyMPTGXOMYJMXSNM-UHFFFAOYSA-N
XLogP-0.85
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-(tetrazol-1-yl)ethanone
CID 90591470
1-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-(tetrazol-1-yl)ethanone
CID 43596168
1-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(tetrazol-1-yl)ethanone
CID 56878819
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198
2-(3-amino-1,2,4-triazol-1-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63763044
ethyl 2-(tetrazol-1-yl)acetate
CID 14415264
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one
CID 130002803
2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 55105139
2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
CID 121154801
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 43421717
N,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 72868801
(5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 146425848

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone (CID 61235148) is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone is NC1CC2CCC(C1)N2C(=O)Cn1cnnn1.
What is the InChIKey of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone?
The InChIKey is MPTGXOMYJMXSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c11-7-3-8-1-2-9(4-7)16(8)10(17)5-15-6-12-13-14-15/h6-9H,1-5,11H2.
What are the key properties of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone?
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone has a molecular weight of 236.28 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 61235148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).