(2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol

C13H13FN4O — CID 10611350

IUPAC(2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol
SMILESOC[C@@H](F)Cc1c[nH]c2ccc(-n3cnnc3)cc12
InChIInChI=1S/C13H13FN4O/c14-10(6-19)3-9-5-15-13-2-1-11(4-12(9)13)18-7-16-17-8-18/h1-2,4-5,7-8,10,15,19H,3,6H2/t10-/m0/s1
InChIKeyWMCRRAWQCMIZDD-JTQLQIEISA-N
MW260.27 g/mol
LogP1.62
Rot. Bonds4

About (2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol

(2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol (PubChem CID 10611350) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is (2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol
PubChem CID10611350
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name(2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol
SMILESOC[C@@H](F)Cc1c[nH]c2ccc(-n3cnnc3)cc12
InChIInChI=1S/C13H13FN4O/c14-10(6-19)3-9-5-15-13-2-1-11(4-12(9)13)18-7-16-17-8-18/h1-2,4-5,7-8,10,15,19H,3,6H2/t10-/m0/s1
InChIKeyWMCRRAWQCMIZDD-JTQLQIEISA-N
XLogP1.62
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole
CID 57263001
3-[(2R)-2-fluoro-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67594021
2-(4-fluorophenyl)-2-[[1-[2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethanol
CID 10743348
1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
CID 18975339
3-[2-fluoro-3-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10575553
(2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
CID 10736491
4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine
CID 19426661
3-phenyl-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]propan-1-ol
CID 70104878
3-[5-(3-fluorophenyl)-4-pyridin-4-ylpentyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67577259
N-[4-[2-[4-[(2R)-2-hydroxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]phenyl]acetamide
CID 70101925
(2R)-2-phenyl-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]methylamino]ethanol
CID 10766321
ethyl 2-[3-phenyl-4-[1-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-yl]piperazin-1-yl]propanoate
CID 67593690

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol?
The IUPAC name of (2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol (CID 10611350) is (2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol?
The canonical SMILES for (2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol is OC[C@@H](F)Cc1c[nH]c2ccc(-n3cnnc3)cc12.
What is the InChIKey of (2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol?
The InChIKey is WMCRRAWQCMIZDD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13FN4O/c14-10(6-19)3-9-5-15-13-2-1-11(4-12(9)13)18-7-16-17-8-18/h1-2,4-5,7-8,10,15,19H,3,6H2/t10-/m0/s1.
What are the key properties of (2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol?
(2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol has a molecular weight of 260.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol is sourced from PubChem (CID 10611350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).