1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone

C8H7N5O — CID 118225265

IUPAC1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-n2cnnn2)nc1
InChIInChI=1S/C8H7N5O/c1-6(14)7-2-3-8(9-4-7)13-5-10-11-12-13/h2-5H,1H3
InChIKeyBNIYICGDWWJUAX-UHFFFAOYSA-N
MW189.18 g/mol
LogP0.26
Rot. Bonds2

About 1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone

1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone (PubChem CID 118225265) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is 1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone
PubChem CID118225265
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC Name1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-n2cnnn2)nc1
InChIInChI=1S/C8H7N5O/c1-6(14)7-2-3-8(9-4-7)13-5-10-11-12-13/h2-5H,1H3
InChIKeyBNIYICGDWWJUAX-UHFFFAOYSA-N
XLogP0.26
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone (CID 118225265) is 1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone is CC(=O)c1ccc(-n2cnnn2)nc1.
What is the InChIKey of 1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone?
The InChIKey is BNIYICGDWWJUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c1-6(14)7-2-3-8(9-4-7)13-5-10-11-12-13/h2-5H,1H3.
What are the key properties of 1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone?
1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone has a molecular weight of 189.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(tetrazol-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 118225265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).