4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C12H14N6O — CID 53216173

IUPAC4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCC(C)Cn1c(-c2nonc2N)nc2cccnc21
InChIInChI=1S/C12H14N6O/c1-7(2)6-18-11-8(4-3-5-14-11)15-12(18)9-10(13)17-19-16-9/h3-5,7H,6H2,1-2H3,(H2,13,17)
InChIKeyOVVJMSIZFHPMBH-UHFFFAOYSA-N
MW258.29 g/mol
LogP1.72
Rot. Bonds3

About 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 53216173) has the molecular formula C12H14N6O and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID53216173
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC Name4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCC(C)Cn1c(-c2nonc2N)nc2cccnc21
InChIInChI=1S/C12H14N6O/c1-7(2)6-18-11-8(4-3-5-14-11)15-12(18)9-10(13)17-19-16-9/h3-5,7H,6H2,1-2H3,(H2,13,17)
InChIKeyOVVJMSIZFHPMBH-UHFFFAOYSA-N
XLogP1.72
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 53216173) is 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CC(C)Cn1c(-c2nonc2N)nc2cccnc21.
What is the InChIKey of 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is OVVJMSIZFHPMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-7(2)6-18-11-8(4-3-5-14-11)15-12(18)9-10(13)17-19-16-9/h3-5,7H,6H2,1-2H3,(H2,13,17).
What are the key properties of 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 258.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 53216173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).