3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane

C10H13N3 — CID 44589968

IUPAC3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESc1cncc(N2CC3CC(C2)N3)c1
InChIInChI=1S/C10H13N3/c1-2-10(5-11-3-1)13-6-8-4-9(7-13)12-8/h1-3,5,8-9,12H,4,6-7H2
InChIKeyXRPYIWLXAMYVGT-UHFFFAOYSA-N
MW175.24 g/mol
LogP0.63
Rot. Bonds1

About 3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane

3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 44589968) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID44589968
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESc1cncc(N2CC3CC(C2)N3)c1
InChIInChI=1S/C10H13N3/c1-2-10(5-11-3-1)13-6-8-4-9(7-13)12-8/h1-3,5,8-9,12H,4,6-7H2
InChIKeyXRPYIWLXAMYVGT-UHFFFAOYSA-N
XLogP0.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane (CID 44589968) is 3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane is c1cncc(N2CC3CC(C2)N3)c1.
What is the InChIKey of 3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is XRPYIWLXAMYVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-10(5-11-3-1)13-6-8-4-9(7-13)12-8/h1-3,5,8-9,12H,4,6-7H2.
What are the key properties of 3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane?
3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 175.24 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 44589968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).