5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol

C10H16F3N3O — CID 79954425

IUPAC5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCCn1ncnc1CC(O)CCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-2-5-16-9(14-7-15-16)6-8(17)3-4-10(11,12)13/h7-8,17H,2-6H2,1H3
InChIKeyHEBRFAYTCPWKDP-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.93
Rot. Bonds6

About 5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol

5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol (PubChem CID 79954425) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
PubChem CID79954425
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCCn1ncnc1CC(O)CCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-2-5-16-9(14-7-15-16)6-8(17)3-4-10(11,12)13/h7-8,17H,2-6H2,1H3
InChIKeyHEBRFAYTCPWKDP-UHFFFAOYSA-N
XLogP1.93
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol (CID 79954425) is 5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol is CCCn1ncnc1CC(O)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol?
The InChIKey is HEBRFAYTCPWKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-2-5-16-9(14-7-15-16)6-8(17)3-4-10(11,12)13/h7-8,17H,2-6H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol?
5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol has a molecular weight of 251.25 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol is sourced from PubChem (CID 79954425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).