4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C14H19F3N6 — CID 131930764

IUPAC4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCC(C)Cc1nc(C2NCCc3[nH]cnc32)n(CC(F)(F)F)n1
InChIInChI=1S/C14H19F3N6/c1-8(2)5-10-21-13(23(22-10)6-14(15,16)17)12-11-9(3-4-18-12)19-7-20-11/h7-8,12,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyTUROIAPXSTZKOO-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.00
Rot. Bonds4

About 4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 131930764) has the molecular formula C14H19F3N6 and a molecular weight of 328.34 g/mol. Its IUPAC name is 4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID131930764
Molecular FormulaC14H19F3N6
Molecular Weight328.34 g/mol
Exact Mass328.16
IUPAC Name4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCC(C)Cc1nc(C2NCCc3[nH]cnc32)n(CC(F)(F)F)n1
InChIInChI=1S/C14H19F3N6/c1-8(2)5-10-21-13(23(22-10)6-14(15,16)17)12-11-9(3-4-18-12)19-7-20-11/h7-8,12,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyTUROIAPXSTZKOO-UHFFFAOYSA-N
XLogP2.00
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 131930764) is 4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is CC(C)Cc1nc(C2NCCc3[nH]cnc32)n(CC(F)(F)F)n1.
What is the InChIKey of 4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is TUROIAPXSTZKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N6/c1-8(2)5-10-21-13(23(22-10)6-14(15,16)17)12-11-9(3-4-18-12)19-7-20-11/h7-8,12,18H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 328.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 131930764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).