tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

C11H17N3O2 — CID 57481540

IUPACtert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-8-9(6-14)13-7-12-8/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyDGOLMFKQDDOSPK-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.70
Rot. Bonds

About tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 57481540) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
PubChem CID57481540
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nametert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-8-9(6-14)13-7-12-8/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyDGOLMFKQDDOSPK-UHFFFAOYSA-N
XLogP1.70
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (CID 57481540) is tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is DGOLMFKQDDOSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-8-9(6-14)13-7-12-8/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 57481540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).