1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol

C17H16F3N5O2 — CID 142718751

IUPAC1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol
SMILESOC(Cc1ccc(-c2ccc(OCC(F)(F)F)cc2)nc1)Cn1cnnn1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)10-27-15-4-2-13(3-5-15)16-6-1-12(8-21-16)7-14(26)9-25-11-22-23-24-25/h1-6,8,11,14,26H,7,9-10H2
InChIKeyLHFVXYAWBZCLME-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.28
Rot. Bonds7

About 1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol

1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol (PubChem CID 142718751) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol
PubChem CID142718751
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol
SMILESOC(Cc1ccc(-c2ccc(OCC(F)(F)F)cc2)nc1)Cn1cnnn1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)10-27-15-4-2-13(3-5-15)16-6-1-12(8-21-16)7-14(26)9-25-11-22-23-24-25/h1-6,8,11,14,26H,7,9-10H2
InChIKeyLHFVXYAWBZCLME-UHFFFAOYSA-N
XLogP2.28
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,1-difluoro-3-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol
CID 118384196
1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
CID 71143927
(2S)-2-(2,4-difluorophenyl)-1-(tetrazol-1-yl)-3-[3-[4-(2,2,2-trifluoroethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]butan-2-ol
CID 171759347
(2S)-2-(2,4-difluorophenyl)-1-fluoro-3-(tetrazol-1-yl)-1-[3-[4-(2,2,2-trifluoroethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]propan-2-ol
CID 171759384
1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-one
CID 126709747
1-[5-[2-[4-[[4-[1-(dimethylamino)-2-hydroxyethyl]phenyl]methoxy]phenyl]ethynyl]-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
CID 172846668
3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
CID 167756005
4-[2-methyl-3-(tetrazol-1-yl)propoxy]benzoic acid
CID 139364228
(2R,3R)-2-(2,4-difluorophenyl)-3-[3-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]-1-(tetrazol-1-yl)butan-2-ol
CID 171776307
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 31260275
(2S)-1-amino-3-[4-(4-ethoxyphenyl)triazol-1-yl]propan-2-ol
CID 156767774
1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 109411689

Frequently Asked Questions

What is the IUPAC name of 1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol?
The IUPAC name of 1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol (CID 142718751) is 1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol is OC(Cc1ccc(-c2ccc(OCC(F)(F)F)cc2)nc1)Cn1cnnn1.
What is the InChIKey of 1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol?
The InChIKey is LHFVXYAWBZCLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c18-17(19,20)10-27-15-4-2-13(3-5-15)16-6-1-12(8-21-16)7-14(26)9-25-11-22-23-24-25/h1-6,8,11,14,26H,7,9-10H2.
What are the key properties of 1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol?
1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol has a molecular weight of 379.34 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tetrazol-1-yl)-3-[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 142718751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).