3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane

C9H12N4 — CID 151913625

IUPAC3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESc1cnc(N2CC3CC(C2)N3)cn1
InChIInChI=1S/C9H12N4/c1-2-11-9(4-10-1)13-5-7-3-8(6-13)12-7/h1-2,4,7-8,12H,3,5-6H2
InChIKeySVHOULJURFHIEP-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.03
Rot. Bonds1

About 3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane

3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 151913625) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID151913625
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESc1cnc(N2CC3CC(C2)N3)cn1
InChIInChI=1S/C9H12N4/c1-2-11-9(4-10-1)13-5-7-3-8(6-13)12-7/h1-2,4,7-8,12H,3,5-6H2
InChIKeySVHOULJURFHIEP-UHFFFAOYSA-N
XLogP0.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane (CID 151913625) is 3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane is c1cnc(N2CC3CC(C2)N3)cn1.
What is the InChIKey of 3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is SVHOULJURFHIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-11-9(4-10-1)13-5-7-3-8(6-13)12-7/h1-2,4,7-8,12H,3,5-6H2.
What are the key properties of 3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane?
3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 176.22 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 151913625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).