2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone

C12H14N6O — CID 860955

IUPAC2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1nnc(-c2cccnc2)n1)N1CCCC1
InChIInChI=1S/C12H14N6O/c19-11(17-6-1-2-7-17)9-18-15-12(14-16-18)10-4-3-5-13-8-10/h3-5,8H,1-2,6-7,9H2
InChIKeyNHYHJMASUKNNMA-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.36
Rot. Bonds3

About 2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone

2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 860955) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone
PubChem CID860955
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1nnc(-c2cccnc2)n1)N1CCCC1
InChIInChI=1S/C12H14N6O/c19-11(17-6-1-2-7-17)9-18-15-12(14-16-18)10-4-3-5-13-8-10/h3-5,8H,1-2,6-7,9H2
InChIKeyNHYHJMASUKNNMA-UHFFFAOYSA-N
XLogP0.36
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylpiperidin-1-yl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
CID 646582
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 744261
1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
CID 860973
1-[2-(azetidin-1-yl)-2-oxoethyl]-5-pyridin-3-yltriazole-4-carboxylic acid
CID 102642392
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 56816775
N-(2,3-dihydro-1H-inden-5-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide
CID 3213439
2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone
CID 861127
4-cyclopropyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 121116899
1-pyrrolidin-1-yl-2-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]ethanone
CID 5299055
1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
CID 3170932
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
1-pyridin-3-yl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 22925185

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone (CID 860955) is 2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone is O=C(Cn1nnc(-c2cccnc2)n1)N1CCCC1.
What is the InChIKey of 2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is NHYHJMASUKNNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c19-11(17-6-1-2-7-17)9-18-15-12(14-16-18)10-4-3-5-13-8-10/h3-5,8H,1-2,6-7,9H2.
What are the key properties of 2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone?
2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 258.28 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 860955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).