2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol

C14H15FN6O — CID 18986656

IUPAC2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(n1ccnn1)C(O)(Cn1cncn1)c1ccccc1F
InChIInChI=1S/C14H15FN6O/c1-11(21-7-6-17-19-21)14(22,8-20-10-16-9-18-20)12-4-2-3-5-13(12)15/h2-7,9-11,22H,8H2,1H3
InChIKeyNDNQTVPMRNOJLB-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.16
Rot. Bonds5

About 2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol

2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 18986656) has the molecular formula C14H15FN6O and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID18986656
Molecular FormulaC14H15FN6O
Molecular Weight302.31 g/mol
Exact Mass302.13
IUPAC Name2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(n1ccnn1)C(O)(Cn1cncn1)c1ccccc1F
InChIInChI=1S/C14H15FN6O/c1-11(21-7-6-17-19-21)14(22,8-20-10-16-9-18-20)12-4-2-3-5-13(12)15/h2-7,9-11,22H,8H2,1H3
InChIKeyNDNQTVPMRNOJLB-UHFFFAOYSA-N
XLogP1.16
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R)-3-amino-2-(2-fluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 10658310
ethyl 3-(2-fluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoate
CID 67913094
(2R,3R)-2-(2,4-difluorophenyl)-3-[3-(2-fluorophenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 67148132
(2R,3R)-2-(2,4-difluorophenyl)-3-(tetrazol-2-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 11723569
(2R,3R)-2-(2,4-difluorophenyl)-3-(3-phenylpyrazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 67148076
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
(2R,3R)-3-[3-(4-chlorophenyl)pyrazol-1-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 67148426
(2R,3R)-2-(2,4-difluorophenyl)-3-(3-ethylindazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68644859
(2S,3R)-2-(2,5-difluorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol
CID 124577307
1-[(2R,3R)-3-(2-fluorophenyl)-3-hydroxy-4-(triazol-1-yl)butan-2-yl]-3-[4-(triazol-2-yl)phenyl]imidazol-2-one
CID 54527851
6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one
CID 18975261
(2R,3R)-2-(2,4-difluorophenyl)-3-[4-[2-(4-fluorophenyl)ethenyl]pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 66999520

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 18986656) is 2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol is CC(n1ccnn1)C(O)(Cn1cncn1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is NDNQTVPMRNOJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6O/c1-11(21-7-6-17-19-21)14(22,8-20-10-16-9-18-20)12-4-2-3-5-13(12)15/h2-7,9-11,22H,8H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol?
2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 302.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 18986656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).