2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine

C10H19N5 — CID 70011219

IUPAC2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine
SMILESC1=CNC2NCNC2=C1.C1CNCCN1
InChIInChI=1S/C6H9N3.C4H10N2/c1-2-5-6(7-3-1)9-4-8-5;1-2-6-4-3-5-1/h1-3,6-9H,4H2;5-6H,1-4H2
InChIKeyILGRZLGPBJLATH-UHFFFAOYSA-N
MW209.30 g/mol
LogP-1.36
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine

2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine (PubChem CID 70011219) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine
PubChem CID70011219
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine
SMILESC1=CNC2NCNC2=C1.C1CNCCN1
InChIInChI=1S/C6H9N3.C4H10N2/c1-2-5-6(7-3-1)9-4-8-5;1-2-6-4-3-5-1/h1-3,6-9H,4H2;5-6H,1-4H2
InChIKeyILGRZLGPBJLATH-UHFFFAOYSA-N
XLogP-1.36
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 5-1.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine (CID 70011219) is 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine is C1=CNC2NCNC2=C1.C1CNCCN1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine?
The InChIKey is ILGRZLGPBJLATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.C4H10N2/c1-2-5-6(7-3-1)9-4-8-5;1-2-6-4-3-5-1/h1-3,6-9H,4H2;5-6H,1-4H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine?
2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine has a molecular weight of 209.30 g/mol, XLogP of -1.36, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-imidazo[4,5-b]pyridine;piperazine is sourced from PubChem (CID 70011219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).