(1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol

C17H20FN5O — CID 95152326

IUPAC(1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
SMILESCCCc1cc(N(C)C[C@@H](O)c2ccc(F)cc2)n2ncnc2n1
InChIInChI=1S/C17H20FN5O/c1-3-4-14-9-16(23-17(21-14)19-11-20-23)22(2)10-15(24)12-5-7-13(18)8-6-12/h5-9,11,15,24H,3-4,10H2,1-2H3/t15-/m1/s1
InChIKeyUVOGPARXNSHYRC-OAHLLOKOSA-N
MW329.38 g/mol
LogP2.39
Rot. Bonds6

About (1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol

(1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol (PubChem CID 95152326) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
PubChem CID95152326
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name(1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
SMILESCCCc1cc(N(C)C[C@@H](O)c2ccc(F)cc2)n2ncnc2n1
InChIInChI=1S/C17H20FN5O/c1-3-4-14-9-16(23-17(21-14)19-11-20-23)22(2)10-15(24)12-5-7-13(18)8-6-12/h5-9,11,15,24H,3-4,10H2,1-2H3/t15-/m1/s1
InChIKeyUVOGPARXNSHYRC-OAHLLOKOSA-N
XLogP2.39
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol with MolForge

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Related Compounds

N-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133346764
6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol
CID 3512269
N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3227278
(1S)-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 99631671
5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50820542
N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71937878
N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133431042
(1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol
CID 95300283
(2S)-1-[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-methoxypropan-2-ol
CID 100857627
2-[cyclopropyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-(4-fluorophenyl)ethanol
CID 111462245
N-[(2-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191340
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine
CID 55090908

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol (CID 95152326) is (1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol is CCCc1cc(N(C)C[C@@H](O)c2ccc(F)cc2)n2ncnc2n1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
The InChIKey is UVOGPARXNSHYRC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-3-4-14-9-16(23-17(21-14)19-11-20-23)22(2)10-15(24)12-5-7-13(18)8-6-12/h5-9,11,15,24H,3-4,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol?
(1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol has a molecular weight of 329.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-2-[methyl-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol is sourced from PubChem (CID 95152326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).