1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C10H14F3N3 — CID 138670623

IUPAC1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1c(CCC(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C10H14F3N3/c1-16-8-3-5-14-6-7(8)15-9(16)2-4-10(11,12)13/h14H,2-6H2,1H3
InChIKeyQULIQUJWBQJXBS-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.56
Rot. Bonds2

About 1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 138670623) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID138670623
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1c(CCC(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C10H14F3N3/c1-16-8-3-5-14-6-7(8)15-9(16)2-4-10(11,12)13/h14H,2-6H2,1H3
InChIKeyQULIQUJWBQJXBS-UHFFFAOYSA-N
XLogP1.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 138670623) is 1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cn1c(CCC(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is QULIQUJWBQJXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-16-8-3-5-14-6-7(8)15-9(16)2-4-10(11,12)13/h14H,2-6H2,1H3.
What are the key properties of 1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 233.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 138670623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).