3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine

C11H17N5 — CID 102983633

IUPAC3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine
SMILESNc1nccnc1NC1CN2CCC1CC2
InChIInChI=1S/C11H17N5/c12-10-11(14-4-3-13-10)15-9-7-16-5-1-8(9)2-6-16/h3-4,8-9H,1-2,5-7H2,(H2,12,13)(H,14,15)
InChIKeyMKVVDGQENXUFSM-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.56
Rot. Bonds2

About 3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine

3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine (PubChem CID 102983633) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine
PubChem CID102983633
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine
SMILESNc1nccnc1NC1CN2CCC1CC2
InChIInChI=1S/C11H17N5/c12-10-11(14-4-3-13-10)15-9-7-16-5-1-8(9)2-6-16/h3-4,8-9H,1-2,5-7H2,(H2,12,13)(H,14,15)
InChIKeyMKVVDGQENXUFSM-UHFFFAOYSA-N
XLogP0.56
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine (CID 102983633) is 3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine is Nc1nccnc1NC1CN2CCC1CC2.
What is the InChIKey of 3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine?
The InChIKey is MKVVDGQENXUFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c12-10-11(14-4-3-13-10)15-9-7-16-5-1-8(9)2-6-16/h3-4,8-9H,1-2,5-7H2,(H2,12,13)(H,14,15).
What are the key properties of 3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine?
3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine has a molecular weight of 219.29 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine is sourced from PubChem (CID 102983633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).