trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol

C17H19N5O — CID 133495265

IUPACtrans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C17H19N5O/c23-15-9-5-4-8-13(15)20-16-10-14(12-6-2-1-3-7-12)21-17-18-11-19-22(16)17/h1-3,6-7,10-11,13,15,20,23H,4-5,8-9H2/t13-,15-/m0/s1
InChIKeyBGIBEBUMYGEKFO-ZFWWWQNUSA-N
MW309.37 g/mol
LogP2.51
Rot. Bonds3

About trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol (PubChem CID 133495265) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
PubChem CID133495265
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Nametrans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C17H19N5O/c23-15-9-5-4-8-13(15)20-16-10-14(12-6-2-1-3-7-12)21-17-18-11-19-22(16)17/h1-3,6-7,10-11,13,15,20,23H,4-5,8-9H2/t13-,15-/m0/s1
InChIKeyBGIBEBUMYGEKFO-ZFWWWQNUSA-N
XLogP2.51
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol with MolForge

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Related Compounds

N-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 98212138
2-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376377
5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 7436049
5-phenyl-N-(1-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133292343
methyl 3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
CID 133275678
5-phenyl-N-[3-(pyrazol-1-ylmethyl)cyclobutyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 139017552
3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 133345012
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78836379
N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine
CID 127616496
5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133353393
(2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 95900420
5-methyl-N-[(1R,2S)-2-phenylcyclopentyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 100664223

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol (CID 133495265) is trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Nc1cc(-c2ccccc2)nc2ncnn12.
What is the InChIKey of trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
The InChIKey is BGIBEBUMYGEKFO-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H19N5O/c23-15-9-5-4-8-13(15)20-16-10-14(12-6-2-1-3-7-12)21-17-18-11-19-22(16)17/h1-3,6-7,10-11,13,15,20,23H,4-5,8-9H2/t13-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol has a molecular weight of 309.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 133495265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).