methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate

C8H11N3O2 — CID 22414717

IUPACmethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate
SMILESCOC(=O)C1NCCc2[nH]cnc21
InChIInChI=1S/C8H11N3O2/c1-13-8(12)7-6-5(2-3-9-7)10-4-11-6/h4,7,9H,2-3H2,1H3,(H,10,11)
InChIKeyFZPHSUBVENHRPC-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.23
Rot. Bonds1

About methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate

methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate (PubChem CID 22414717) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate
PubChem CID22414717
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Namemethyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate
SMILESCOC(=O)C1NCCc2[nH]cnc21
InChIInChI=1S/C8H11N3O2/c1-13-8(12)7-6-5(2-3-9-7)10-4-11-6/h4,7,9H,2-3H2,1H3,(H,10,11)
InChIKeyFZPHSUBVENHRPC-UHFFFAOYSA-N
XLogP-0.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate?
The IUPAC name of methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate (CID 22414717) is methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate is COC(=O)C1NCCc2[nH]cnc21.
What is the InChIKey of methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate?
The InChIKey is FZPHSUBVENHRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-8(12)7-6-5(2-3-9-7)10-4-11-6/h4,7,9H,2-3H2,1H3,(H,10,11).
What are the key properties of methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate?
methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate has a molecular weight of 181.19 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate is sourced from PubChem (CID 22414717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).