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;hydrochloride

C14H20ClF3N6 — CID 154912252

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;hydrochloride
SMILESCC(C)Cc1nc(C2NCCc3[nH]cnc32)n(CC(F)(F)F)n1.Cl
InChIInChI=1S/C14H19F3N6.ClH/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);1H
InChIKeyHKIGRUIPKTXWJK-UHFFFAOYSA-N
MW364.80 g/mol
LogP2.42
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;hydrochloride

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;hydrochloride (PubChem CID 154912252) has the molecular formula C14H20ClF3N6 and a molecular weight of 364.80 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;hydrochloride.

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;hydrochloride
PubChem CID154912252
Molecular FormulaC14H20ClF3N6
Molecular Weight364.80 g/mol
Exact Mass364.14
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;hydrochloride
SMILESCC(C)Cc1nc(C2NCCc3[nH]cnc32)n(CC(F)(F)F)n1.Cl
InChIInChI=1S/C14H19F3N6.ClH/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);1H
InChIKeyHKIGRUIPKTXWJK-UHFFFAOYSA-N
XLogP2.42
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 52.42
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;hydrochloride with MolForge

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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;hydrochloride?
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;hydrochloride (CID 154912252) 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;hydrochloride.
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;hydrochloride?
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;hydrochloride is CC(C)Cc1nc(C2NCCc3[nH]cnc32)n(CC(F)(F)F)n1.Cl.
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;hydrochloride?
The InChIKey is HKIGRUIPKTXWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N6.ClH/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);1H.
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;hydrochloride?
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;hydrochloride has a molecular weight of 364.80 g/mol, XLogP of 2.42, 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;hydrochloride is sourced from PubChem (CID 154912252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).