1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol

C9H20N4O — CID 58637857

IUPAC1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol
SMILESOC1N2CCNCCNCCN1CC2
InChIInChI=1S/C9H20N4O/c14-9-12-5-3-10-1-2-11-4-6-13(9)8-7-12/h9-11,14H,1-8H2
InChIKeyDVUFLYDSAATDHJ-UHFFFAOYSA-N
MW200.29 g/mol
LogP-1.93
Rot. Bonds

About 1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol

1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol (PubChem CID 58637857) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol.

Molecular Properties

Compound Name1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol
PubChem CID58637857
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol
SMILESOC1N2CCNCCNCCN1CC2
InChIInChI=1S/C9H20N4O/c14-9-12-5-3-10-1-2-11-4-6-13(9)8-7-12/h9-11,14H,1-8H2
InChIKeyDVUFLYDSAATDHJ-UHFFFAOYSA-N
XLogP-1.93
TPSA50.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol?
The IUPAC name of 1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol (CID 58637857) is 1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol.
What is the SMILES notation for 1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol?
The canonical SMILES for 1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol is OC1N2CCNCCNCCN1CC2.
What is the InChIKey of 1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol?
The InChIKey is DVUFLYDSAATDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c14-9-12-5-3-10-1-2-11-4-6-13(9)8-7-12/h9-11,14H,1-8H2.
What are the key properties of 1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol?
1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol has a molecular weight of 200.29 g/mol, XLogP of -1.93, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetrazabicyclo[8.2.1]tridecan-13-ol is sourced from PubChem (CID 58637857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).