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

C12H19N5O — CID 55236442

IUPAC8-[(1-cyclopropyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1nnnn1C1CC1
InChIInChI=1S/C12H19N5O/c18-11-5-9-3-4-10(6-11)16(9)7-12-13-14-15-17(12)8-1-2-8/h8-11,18H,1-7H2
InChIKeyZTJRJYOCVMWGOB-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.50
Rot. Bonds3

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

8-[(1-cyclopropyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55236442) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 8-[(1-cyclopropyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(1-cyclopropyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55236442
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name8-[(1-cyclopropyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1nnnn1C1CC1
InChIInChI=1S/C12H19N5O/c18-11-5-9-3-4-10(6-11)16(9)7-12-13-14-15-17(12)8-1-2-8/h8-11,18H,1-7H2
InChIKeyZTJRJYOCVMWGOB-UHFFFAOYSA-N
XLogP0.50
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-cyclopropyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(1-cyclopropyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 55236442) is 8-[(1-cyclopropyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(1-cyclopropyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(1-cyclopropyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2Cc1nnnn1C1CC1.
What is the InChIKey of 8-[(1-cyclopropyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ZTJRJYOCVMWGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c18-11-5-9-3-4-10(6-11)16(9)7-12-13-14-15-17(12)8-1-2-8/h8-11,18H,1-7H2.
What are the key properties of 8-[(1-cyclopropyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(1-cyclopropyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 249.32 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-cyclopropyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55236442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).