[3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone

C18H19N5O — CID 118472472

IUPAC[3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone
SMILESCC1CC(c2ccnc3ncnn23)CN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H19N5O/c1-13-9-15(16-7-8-19-18-20-12-21-23(16)18)11-22(10-13)17(24)14-5-3-2-4-6-14/h2-8,12-13,15H,9-11H2,1H3
InChIKeyCSXCDEQWXKJYIO-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.39
Rot. Bonds2

About [3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone

[3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 118472472) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is [3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone
PubChem CID118472472
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone
SMILESCC1CC(c2ccnc3ncnn23)CN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H19N5O/c1-13-9-15(16-7-8-19-18-20-12-21-23(16)18)11-22(10-13)17(24)14-5-3-2-4-6-14/h2-8,12-13,15H,9-11H2,1H3
InChIKeyCSXCDEQWXKJYIO-UHFFFAOYSA-N
XLogP2.39
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 110225724
thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 110214031
tert-butyl (3R)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 142415547
tert-butyl (3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 142415489
(1-propan-2-ylpyrazol-4-yl)-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 16670086
7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1485500
[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone
CID 83999951
[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 118471028
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
7-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 92575438
N-(1-benzoyl-5-methylpiperidin-3-yl)acetamide
CID 112541842
(3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 5322328

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone (CID 118472472) is [3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone is CC1CC(c2ccnc3ncnn23)CN(C(=O)c2ccccc2)C1.
What is the InChIKey of [3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is CSXCDEQWXKJYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-9-15(16-7-8-19-18-20-12-21-23(16)18)11-22(10-13)17(24)14-5-3-2-4-6-14/h2-8,12-13,15H,9-11H2,1H3.
What are the key properties of [3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone?
[3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 321.38 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 118472472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).