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

C11H14F3N3 — CID 58617557

IUPAC4-cyclopropyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1c(C(F)(F)F)nc2c1CCNC2C1CC1
InChIInChI=1S/C11H14F3N3/c1-17-7-4-5-15-8(6-2-3-6)9(7)16-10(17)11(12,13)14/h6,8,15H,2-5H2,1H3
InChIKeyXOIHTZLGUVUECQ-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.04
Rot. Bonds1

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

4-cyclopropyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 58617557) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 4-cyclopropyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-cyclopropyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID58617557
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name4-cyclopropyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1c(C(F)(F)F)nc2c1CCNC2C1CC1
InChIInChI=1S/C11H14F3N3/c1-17-7-4-5-15-8(6-2-3-6)9(7)16-10(17)11(12,13)14/h6,8,15H,2-5H2,1H3
InChIKeyXOIHTZLGUVUECQ-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 4-cyclopropyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 58617557) is 4-cyclopropyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-cyclopropyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 4-cyclopropyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cn1c(C(F)(F)F)nc2c1CCNC2C1CC1.
What is the InChIKey of 4-cyclopropyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is XOIHTZLGUVUECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-17-7-4-5-15-8(6-2-3-6)9(7)16-10(17)11(12,13)14/h6,8,15H,2-5H2,1H3.
What are the key properties of 4-cyclopropyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
4-cyclopropyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 245.25 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 58617557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).