3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine

C12H16N4O — CID 79289014

IUPAC3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1CC1CCCCO1
InChIInChI=1S/C12H16N4O/c13-12-15-10-5-3-6-14-11(10)16(12)8-9-4-1-2-7-17-9/h3,5-6,9H,1-2,4,7-8H2,(H2,13,15)
InChIKeyHLUJYHQDAQKFED-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.58
Rot. Bonds2

About 3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine

3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79289014) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79289014
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1CC1CCCCO1
InChIInChI=1S/C12H16N4O/c13-12-15-10-5-3-6-14-11(10)16(12)8-9-4-1-2-7-17-9/h3,5-6,9H,1-2,4,7-8H2,(H2,13,15)
InChIKeyHLUJYHQDAQKFED-UHFFFAOYSA-N
XLogP1.58
TPSA65.96 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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine (CID 79289014) is 3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine is Nc1nc2cccnc2n1CC1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is HLUJYHQDAQKFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-12-15-10-5-3-6-14-11(10)16(12)8-9-4-1-2-7-17-9/h3,5-6,9H,1-2,4,7-8H2,(H2,13,15).
What are the key properties of 3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79289014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).