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

C12H21N5O — CID 55235667

IUPAC8-[(1-propyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCn1nnnc1CN1C2CCC1CC(O)C2
InChIInChI=1S/C12H21N5O/c1-2-5-17-12(13-14-15-17)8-16-9-3-4-10(16)7-11(18)6-9/h9-11,18H,2-8H2,1H3
InChIKeyNGKZYFUMVUQKGO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.57
Rot. Bonds4

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

8-[(1-propyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55235667) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 8-[(1-propyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(1-propyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55235667
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name8-[(1-propyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCn1nnnc1CN1C2CCC1CC(O)C2
InChIInChI=1S/C12H21N5O/c1-2-5-17-12(13-14-15-17)8-16-9-3-4-10(16)7-11(18)6-9/h9-11,18H,2-8H2,1H3
InChIKeyNGKZYFUMVUQKGO-UHFFFAOYSA-N
XLogP0.57
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[(1-propyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

1-[(1-Cyclohexyltetrazol-5-yl)methyl]piperidin-4-ol
CID 1432234
1-[1-[(1-Propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
CID 53614495
8-[(1-Cyclopropyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55236442
2-[1-[(1-Butyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
CID 60690262
2-[1-[(1-Propyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
CID 60690376
8-(1-Methyltetrazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 60916141
2-[1-[(1-Cyclopropyltetrazol-5-yl)methyl]piperidin-2-yl]ethanol
CID 62020648
3-[1-[(1-Propyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467285
3-[1-[(1-Butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467828
3-[1-[(1-Cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62469242
8-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768719
8-[(1-Butyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768905

Frequently Asked Questions

What is the IUPAC name of 8-[(1-propyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(1-propyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 55235667) is 8-[(1-propyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(1-propyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(1-propyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is CCCn1nnnc1CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-[(1-propyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NGKZYFUMVUQKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-5-17-12(13-14-15-17)8-16-9-3-4-10(16)7-11(18)6-9/h9-11,18H,2-8H2,1H3.
What are the key properties of 8-[(1-propyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(1-propyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 251.33 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-propyltetrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55235667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).