1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone

C13H19N5O — CID 15396738

IUPAC1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone
SMILESNc1nnnn1CC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H19N5O/c14-12-15-16-17-18(12)7-11(19)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,14,15,17)
InChIKeyMNUUNMPFPSGPOS-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.04
Rot. Bonds3

About 1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone

1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone (PubChem CID 15396738) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone
PubChem CID15396738
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone
SMILESNc1nnnn1CC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H19N5O/c14-12-15-16-17-18(12)7-11(19)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,14,15,17)
InChIKeyMNUUNMPFPSGPOS-UHFFFAOYSA-N
XLogP1.04
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-adamantyl)-2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)ethanone
CID 15627328
2-(5-aminotetrazol-1-yl)acetamide
CID 55281963
1-(1-adamantyl)tetrazol-5-amine
CID 23008813
3-[2-(1-adamantyl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione
CID 87022463
2-(5-aminotetrazol-1-yl)-N,N-dimethylacetamide
CID 79506797
1-[2-(1-adamantyl)-2-oxoethyl]-4-(2-chlorophenyl)tetrazol-5-one
CID 41402474
(2R)-1-(1-adamantyl)-2-(1-ethyltetrazol-5-yl)sulfanylpropan-1-one
CID 40938645
1-(1-adamantyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 2974219
adamantane-1-carboxamide
CID 21686
[2-(1-adamantyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 7500731
1-(1-adamantyl)-2-fluoroethanone
CID 4015721
1-(1-adamantyl)-2-chloroethanone
CID 12824145

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone?
The IUPAC name of 1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone (CID 15396738) is 1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone?
The canonical SMILES for 1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone is Nc1nnnn1CC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone?
The InChIKey is MNUUNMPFPSGPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c14-12-15-16-17-18(12)7-11(19)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,14,15,17).
What are the key properties of 1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone?
1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone has a molecular weight of 261.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(5-aminotetrazol-1-yl)ethanone is sourced from PubChem (CID 15396738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).