2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol

C16H21F3N6O — CID 146511984

IUPAC2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol
SMILESCc1nc(C2CC2Cc2nc(C3CC3)n(CCO)n2)n(CC(F)(F)F)n1
InChIInChI=1S/C16H21F3N6O/c1-9-20-15(25(22-9)8-16(17,18)19)12-6-11(12)7-13-21-14(10-2-3-10)24(23-13)4-5-26/h10-12,26H,2-8H2,1H3
InChIKeyIQKSLNJCVWYDOL-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.96
Rot. Bonds7

About 2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol

2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 146511984) has the molecular formula C16H21F3N6O and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID146511984
Molecular FormulaC16H21F3N6O
Molecular Weight370.38 g/mol
Exact Mass370.17
IUPAC Name2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol
SMILESCc1nc(C2CC2Cc2nc(C3CC3)n(CCO)n2)n(CC(F)(F)F)n1
InChIInChI=1S/C16H21F3N6O/c1-9-20-15(25(22-9)8-16(17,18)19)12-6-11(12)7-13-21-14(10-2-3-10)24(23-13)4-5-26/h10-12,26H,2-8H2,1H3
InChIKeyIQKSLNJCVWYDOL-UHFFFAOYSA-N
XLogP1.96
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-Ethyl-3-[1-fluoro-2-[[5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazol-3-yl]methyl]cyclopropyl]-5-methyl-1,2,4-triazole
CID 147752051
(3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole;2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanol;3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 160864453
5-propan-2-yl-3-[(1S)-2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
CID 174089440

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol (CID 146511984) is 2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol is Cc1nc(C2CC2Cc2nc(C3CC3)n(CCO)n2)n(CC(F)(F)F)n1.
What is the InChIKey of 2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is IQKSLNJCVWYDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6O/c1-9-20-15(25(22-9)8-16(17,18)19)12-6-11(12)7-13-21-14(10-2-3-10)24(23-13)4-5-26/h10-12,26H,2-8H2,1H3.
What are the key properties of 2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol?
2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 370.38 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-[[2-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 146511984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).