(13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane

C10H17N3 — CID 147128823

IUPAC(13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane
SMILESC1CCN2CCCN3C4N(CC1)C423
InChIInChI=1S/C10H17N3/c1-2-5-11-6-4-8-13-9-10(11,13)12(9)7-3-1/h9H,1-8H2
InChIKeyBPUSMTSTBDNLBH-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.49
Rot. Bonds

About (13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane

(13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane (PubChem CID 147128823) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane.

Molecular Properties

Compound Name(13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane
PubChem CID147128823
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane
SMILESC1CCN2CCCN3C4N(CC1)C423
InChIInChI=1S/C10H17N3/c1-2-5-11-6-4-8-13-9-10(11,13)12(9)7-3-1/h9H,1-8H2
InChIKeyBPUSMTSTBDNLBH-UHFFFAOYSA-N
XLogP0.49
TPSA9.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane?
The IUPAC name of (13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane (CID 147128823) is (13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane.
What is the SMILES notation for (13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane?
The canonical SMILES for (13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane is C1CCN2CCCN3C4N(CC1)C423.
What is the InChIKey of (13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane?
The InChIKey is BPUSMTSTBDNLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-5-11-6-4-8-13-9-10(11,13)12(9)7-3-1/h9H,1-8H2.
What are the key properties of (13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane?
(13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane has a molecular weight of 179.27 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (13R)-2,8,12-triazatetracyclo[6.5.0.01,12.02,13]tridecane is sourced from PubChem (CID 147128823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).