3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole

C9H7N7O — CID 75370384

IUPAC3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(Cn3cnnn3)n2)nc1
InChIInChI=1S/C9H7N7O/c1-2-4-10-7(3-1)9-12-8(17-13-9)5-16-6-11-14-15-16/h1-4,6H,5H2
InChIKeyZQBJDTLQQFVDEU-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.17
Rot. Bonds3

About 3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole

3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 75370384) has the molecular formula C9H7N7O and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID75370384
Molecular FormulaC9H7N7O
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(Cn3cnnn3)n2)nc1
InChIInChI=1S/C9H7N7O/c1-2-4-10-7(3-1)9-12-8(17-13-9)5-16-6-11-14-15-16/h1-4,6H,5H2
InChIKeyZQBJDTLQQFVDEU-UHFFFAOYSA-N
XLogP0.17
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
CID 62059428
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 118796031
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
5-[(3-cyclohexylpyrrolidin-1-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 45245967
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872
3-pyridin-2-yl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 25282589
5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752286
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 82713825
5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 845257
3-pyridin-2-yl-5-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 29084658

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole (CID 75370384) is 3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole is c1ccc(-c2noc(Cn3cnnn3)n2)nc1.
What is the InChIKey of 3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is ZQBJDTLQQFVDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N7O/c1-2-4-10-7(3-1)9-12-8(17-13-9)5-16-6-11-14-15-16/h1-4,6H,5H2.
What are the key properties of 3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole?
3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 229.20 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75370384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).