cyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate

C11H15N3O2 — CID 79343131

IUPACcyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESO=C(OCC1CC1)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C11H15N3O2/c15-11(16-5-7-1-2-7)9-3-8-10(4-12-9)14-6-13-8/h6-7,9,12H,1-5H2,(H,13,14)
InChIKeyPJYZVOCXBINZRP-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.38
Rot. Bonds3

About cyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate

cyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 79343131) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is cyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID79343131
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namecyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESO=C(OCC1CC1)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C11H15N3O2/c15-11(16-5-7-1-2-7)9-3-8-10(4-12-9)14-6-13-8/h6-7,9,12H,1-5H2,(H,13,14)
InChIKeyPJYZVOCXBINZRP-UHFFFAOYSA-N
XLogP0.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of cyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate (CID 79343131) is cyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for cyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for cyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate is O=C(OCC1CC1)C1Cc2nc[nH]c2CN1.
What is the InChIKey of cyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is PJYZVOCXBINZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16-5-7-1-2-7)9-3-8-10(4-12-9)14-6-13-8/h6-7,9,12H,1-5H2,(H,13,14).
What are the key properties of cyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate?
cyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 79343131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).