1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C12H15F3N6 — CID 64857743

IUPAC1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1cnnc1CCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C12H15F3N6/c1-20-7-17-19-10(20)3-5-21-9-2-4-16-6-8(9)18-11(21)12(13,14)15/h7,16H,2-6H2,1H3
InChIKeyBTYQRGFMBDRJEA-UHFFFAOYSA-N
MW300.29 g/mol
LogP0.92
Rot. Bonds3

About 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857743) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857743
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1cnnc1CCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C12H15F3N6/c1-20-7-17-19-10(20)3-5-21-9-2-4-16-6-8(9)18-11(21)12(13,14)15/h7,16H,2-6H2,1H3
InChIKeyBTYQRGFMBDRJEA-UHFFFAOYSA-N
XLogP0.92
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

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Related Compounds

3-Methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-3h-imidazo[4,5-c]pyridine
CID 45096982
1-Methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 58617555
1-Methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 58617556
1,4-Dimethyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 58617565
1-(Trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 118875602
3-Methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride
CID 131884213
2-(1,1-Difluoropropyl)-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 138670264
1-Methyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 138670623
9-Pentyl-3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]purine
CID 141192267
1-(2,2,2-Trifluoroethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64853791
1-Butan-2-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856527
1-(3,3,3-Trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856888

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857743) is 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cn1cnnc1CCn1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is BTYQRGFMBDRJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c1-20-7-17-19-10(20)3-5-21-9-2-4-16-6-8(9)18-11(21)12(13,14)15/h7,16H,2-6H2,1H3.
What are the key properties of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 300.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).