N-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine

C12H16N4O — CID 81136986

IUPACN-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine
SMILESCNC1COCC1c1nc2nc(C)ccc2[nH]1
InChIInChI=1S/C12H16N4O/c1-7-3-4-9-12(14-7)16-11(15-9)8-5-17-6-10(8)13-2/h3-4,8,10,13H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyMNTVWCOGZSZZFS-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.97
Rot. Bonds2

About N-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine

N-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine (PubChem CID 81136986) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine
PubChem CID81136986
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine
SMILESCNC1COCC1c1nc2nc(C)ccc2[nH]1
InChIInChI=1S/C12H16N4O/c1-7-3-4-9-12(14-7)16-11(15-9)8-5-17-6-10(8)13-2/h3-4,8,10,13H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyMNTVWCOGZSZZFS-UHFFFAOYSA-N
XLogP0.97
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine?
The IUPAC name of N-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine (CID 81136986) is N-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine.
What is the SMILES notation for N-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine?
The canonical SMILES for N-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine is CNC1COCC1c1nc2nc(C)ccc2[nH]1.
What is the InChIKey of N-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine?
The InChIKey is MNTVWCOGZSZZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7-3-4-9-12(14-7)16-11(15-9)8-5-17-6-10(8)13-2/h3-4,8,10,13H,5-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine?
N-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine has a molecular weight of 232.29 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)oxolan-3-amine is sourced from PubChem (CID 81136986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).