2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane

C10H13N3 — CID 22065964

IUPAC2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESc1ccc(N2CC3CC2CN3)nc1
InChIInChI=1S/C10H13N3/c1-2-4-11-10(3-1)13-7-8-5-9(13)6-12-8/h1-4,8-9,12H,5-7H2
InChIKeySXPJIQKJNBPVON-UHFFFAOYSA-N
MW175.24 g/mol
LogP0.63
Rot. Bonds1

About 2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane

2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 22065964) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID22065964
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESc1ccc(N2CC3CC2CN3)nc1
InChIInChI=1S/C10H13N3/c1-2-4-11-10(3-1)13-7-8-5-9(13)6-12-8/h1-4,8-9,12H,5-7H2
InChIKeySXPJIQKJNBPVON-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 2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 22065964) is 2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane is c1ccc(N2CC3CC2CN3)nc1.
What is the InChIKey of 2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is SXPJIQKJNBPVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-4-11-10(3-1)13-7-8-5-9(13)6-12-8/h1-4,8-9,12H,5-7H2.
What are the key properties of 2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane?
2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]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 2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 22065964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).