2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine

C12H16N4O — CID 66434955

IUPAC2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine
SMILESCn1c(CC2CNCCO2)nc2cnccc21
InChIInChI=1S/C12H16N4O/c1-16-11-2-3-13-8-10(11)15-12(16)6-9-7-14-4-5-17-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyIPTHGAKSSKFNOJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.50
Rot. Bonds2

About 2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine

2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine (PubChem CID 66434955) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine
PubChem CID66434955
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine
SMILESCn1c(CC2CNCCO2)nc2cnccc21
InChIInChI=1S/C12H16N4O/c1-16-11-2-3-13-8-10(11)15-12(16)6-9-7-14-4-5-17-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyIPTHGAKSSKFNOJ-UHFFFAOYSA-N
XLogP0.50
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine?
The IUPAC name of 2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine (CID 66434955) is 2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine.
What is the SMILES notation for 2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine?
The canonical SMILES for 2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine is Cn1c(CC2CNCCO2)nc2cnccc21.
What is the InChIKey of 2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine?
The InChIKey is IPTHGAKSSKFNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-11-2-3-13-8-10(11)15-12(16)6-9-7-14-4-5-17-9/h2-3,8-9,14H,4-7H2,1H3.
What are the key properties of 2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine?
2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine has a molecular weight of 232.29 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine is sourced from PubChem (CID 66434955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).