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

C9H15N5O — CID 60916141

IUPAC8-(1-methyltetrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCn1nnnc1N1C2CCC1CC(O)C2
InChIInChI=1S/C9H15N5O/c1-13-9(10-11-12-13)14-6-2-3-7(14)5-8(15)4-6/h6-8,15H,2-5H2,1H3
InChIKeyXAEOSNNCWHSMKF-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.30
Rot. Bonds1

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

8-(1-methyltetrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 60916141) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 8-(1-methyltetrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(1-methyltetrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID60916141
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name8-(1-methyltetrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCn1nnnc1N1C2CCC1CC(O)C2
InChIInChI=1S/C9H15N5O/c1-13-9(10-11-12-13)14-6-2-3-7(14)5-8(15)4-6/h6-8,15H,2-5H2,1H3
InChIKeyXAEOSNNCWHSMKF-UHFFFAOYSA-N
XLogP-0.30
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methyltetrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(1-methyltetrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 60916141) is 8-(1-methyltetrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(1-methyltetrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(1-methyltetrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is Cn1nnnc1N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(1-methyltetrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is XAEOSNNCWHSMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-13-9(10-11-12-13)14-6-2-3-7(14)5-8(15)4-6/h6-8,15H,2-5H2,1H3.
What are the key properties of 8-(1-methyltetrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(1-methyltetrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 209.25 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methyltetrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 60916141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).