3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine

C11H13F3N4 — CID 82061574

IUPAC3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
SMILESCc1cnc2c(c1)nc(C(F)(F)F)n2CCCN
InChIInChI=1S/C11H13F3N4/c1-7-5-8-9(16-6-7)18(4-2-3-15)10(17-8)11(12,13)14/h5-6H,2-4,15H2,1H3
InChIKeyYDMZHIRFJUXTCB-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.11
Rot. Bonds3

About 3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine

3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine (PubChem CID 82061574) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
PubChem CID82061574
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
SMILESCc1cnc2c(c1)nc(C(F)(F)F)n2CCCN
InChIInChI=1S/C11H13F3N4/c1-7-5-8-9(16-6-7)18(4-2-3-15)10(17-8)11(12,13)14/h5-6H,2-4,15H2,1H3
InChIKeyYDMZHIRFJUXTCB-UHFFFAOYSA-N
XLogP2.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine?
The IUPAC name of 3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine (CID 82061574) is 3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine.
What is the SMILES notation for 3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine?
The canonical SMILES for 3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine is Cc1cnc2c(c1)nc(C(F)(F)F)n2CCCN.
What is the InChIKey of 3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine?
The InChIKey is YDMZHIRFJUXTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-7-5-8-9(16-6-7)18(4-2-3-15)10(17-8)11(12,13)14/h5-6H,2-4,15H2,1H3.
What are the key properties of 3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine?
3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine has a molecular weight of 258.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine is sourced from PubChem (CID 82061574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).