phenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C17H17N5O — CID 162643896

IUPACphenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC[C@H](c2ccnc3ncnn23)C1
InChIInChI=1S/C17H17N5O/c23-16(13-5-2-1-3-6-13)21-10-4-7-14(11-21)15-8-9-18-17-19-12-20-22(15)17/h1-3,5-6,8-9,12,14H,4,7,10-11H2/t14-/m0/s1
InChIKeyHDUMATANBDEZEU-AWEZNQCLSA-N
MW307.36 g/mol
LogP2.14
Rot. Bonds2

About phenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

phenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 162643896) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is phenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID162643896
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Namephenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC[C@H](c2ccnc3ncnn23)C1
InChIInChI=1S/C17H17N5O/c23-16(13-5-2-1-3-6-13)21-10-4-7-14(11-21)15-8-9-18-17-19-12-20-22(15)17/h1-3,5-6,8-9,12,14H,4,7,10-11H2/t14-/m0/s1
InChIKeyHDUMATANBDEZEU-AWEZNQCLSA-N
XLogP2.14
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of phenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 162643896) is phenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCC[C@H](c2ccnc3ncnn23)C1.
What is the InChIKey of phenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is HDUMATANBDEZEU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17N5O/c23-16(13-5-2-1-3-6-13)21-10-4-7-14(11-21)15-8-9-18-17-19-12-20-22(15)17/h1-3,5-6,8-9,12,14H,4,7,10-11H2/t14-/m0/s1.
What are the key properties of phenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
phenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 307.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 162643896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).