8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C13H23N5O — CID 63768905

IUPAC8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCn1nnnc1CN1C2CCC1CC(O)C2
InChIInChI=1S/C13H23N5O/c1-2-3-6-18-13(14-15-16-18)9-17-10-4-5-11(17)8-12(19)7-10/h10-12,19H,2-9H2,1H3
InChIKeyJMIBLIIAHATRLR-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.96
Rot. Bonds5

About 8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63768905) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63768905
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCn1nnnc1CN1C2CCC1CC(O)C2
InChIInChI=1S/C13H23N5O/c1-2-3-6-18-13(14-15-16-18)9-17-10-4-5-11(17)8-12(19)7-10/h10-12,19H,2-9H2,1H3
InChIKeyJMIBLIIAHATRLR-UHFFFAOYSA-N
XLogP0.96
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63768905) is 8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is CCCCn1nnnc1CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is JMIBLIIAHATRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-3-6-18-13(14-15-16-18)9-17-10-4-5-11(17)8-12(19)7-10/h10-12,19H,2-9H2,1H3.
What are the key properties of 8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 265.36 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63768905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).