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

C8H10F3N3 — CID 58617556

IUPAC1-methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1cnc2c1CCNC2C(F)(F)F
InChIInChI=1S/C8H10F3N3/c1-14-4-13-6-5(14)2-3-12-7(6)8(9,10)11/h4,7,12H,2-3H2,1H3
InChIKeySMQXTWYCGNMQEK-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.17
Rot. Bonds

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

1-methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 58617556) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID58617556
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name1-methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1cnc2c1CCNC2C(F)(F)F
InChIInChI=1S/C8H10F3N3/c1-14-4-13-6-5(14)2-3-12-7(6)8(9,10)11/h4,7,12H,2-3H2,1H3
InChIKeySMQXTWYCGNMQEK-UHFFFAOYSA-N
XLogP1.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 58617556) is 1-methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cn1cnc2c1CCNC2C(F)(F)F.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is SMQXTWYCGNMQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-14-4-13-6-5(14)2-3-12-7(6)8(9,10)11/h4,7,12H,2-3H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 205.18 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 58617556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).