2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

C15H18FN7O — CID 91151476

IUPAC2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
SMILESCN(C)c1cc(F)ccc1C(O)(Cn1cncn1)Cn1cncn1
InChIInChI=1S/C15H18FN7O/c1-21(2)14-5-12(16)3-4-13(14)15(24,6-22-10-17-8-19-22)7-23-11-18-9-20-23/h3-5,8-11,24H,6-7H2,1-2H3
InChIKeyHUOWEYMKASBJOX-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.66
Rot. Bonds6

About 2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 91151476) has the molecular formula C15H18FN7O and a molecular weight of 331.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID91151476
Molecular FormulaC15H18FN7O
Molecular Weight331.36 g/mol
Exact Mass331.16
IUPAC Name2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
SMILESCN(C)c1cc(F)ccc1C(O)(Cn1cncn1)Cn1cncn1
InChIInChI=1S/C15H18FN7O/c1-21(2)14-5-12(16)3-4-13(14)15(24,6-22-10-17-8-19-22)7-23-11-18-9-20-23/h3-5,8-11,24H,6-7H2,1-2H3
InChIKeyHUOWEYMKASBJOX-UHFFFAOYSA-N
XLogP0.66
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol
CID 118524666
(2R)-2-(2,4-difluorophenyl)-4-[[(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butyl]disulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54205825
1-[(4-tert-butylphenyl)methyl-methylamino]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 11524470
2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-5-trimethylsilylpentan-2-ol
CID 11121337
2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 50907306
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10447794
N-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide
CID 178072377
1-[2-(2,4-difluorophenyl)-2-methoxy-3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
CID 90757078
(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-one
CID 141476977
N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-N-methylmethanesulfonamide
CID 54574511

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol (CID 91151476) is 2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol is CN(C)c1cc(F)ccc1C(O)(Cn1cncn1)Cn1cncn1.
What is the InChIKey of 2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is HUOWEYMKASBJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN7O/c1-21(2)14-5-12(16)3-4-13(14)15(24,6-22-10-17-8-19-22)7-23-11-18-9-20-23/h3-5,8-11,24H,6-7H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol?
2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 331.36 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 91151476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).