2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C12H16N6 — CID 130381274

IUPAC2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESc1nc2c([nH]1)CN(c1nc3c([nH]1)CNCC3)CC2
InChIInChI=1S/C12H16N6/c1-3-13-5-10-9(1)16-12(17-10)18-4-2-8-11(6-18)15-7-14-8/h7,13H,1-6H2,(H,14,15)(H,16,17)
InChIKeyYJVPYXWOPRWYRG-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.34
Rot. Bonds1

About 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 130381274) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID130381274
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESc1nc2c([nH]1)CN(c1nc3c([nH]1)CNCC3)CC2
InChIInChI=1S/C12H16N6/c1-3-13-5-10-9(1)16-12(17-10)18-4-2-8-11(6-18)15-7-14-8/h7,13H,1-6H2,(H,14,15)(H,16,17)
InChIKeyYJVPYXWOPRWYRG-UHFFFAOYSA-N
XLogP0.34
TPSA72.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 130381274) is 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is c1nc2c([nH]1)CN(c1nc3c([nH]1)CNCC3)CC2.
What is the InChIKey of 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is YJVPYXWOPRWYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-3-13-5-10-9(1)16-12(17-10)18-4-2-8-11(6-18)15-7-14-8/h7,13H,1-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 244.30 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 130381274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).