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

C19H21N5O — CID 92560694

IUPAC2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCCC[C@H]2c2ccnc3ncnn23)c1
InChIInChI=1S/C19H21N5O/c1-14-5-4-6-15(11-14)12-18(25)23-10-3-2-7-16(23)17-8-9-20-19-21-13-22-24(17)19/h4-6,8-9,11,13,16H,2-3,7,10,12H2,1H3/t16-/m0/s1
InChIKeyJCMRTXMGGOJQPD-INIZCTEOSA-N
MW335.41 g/mol
LogP2.73
Rot. Bonds3

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

2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone (PubChem CID 92560694) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
PubChem CID92560694
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCCC[C@H]2c2ccnc3ncnn23)c1
InChIInChI=1S/C19H21N5O/c1-14-5-4-6-15(11-14)12-18(25)23-10-3-2-7-16(23)17-8-9-20-19-21-13-22-24(17)19/h4-6,8-9,11,13,16H,2-3,7,10,12H2,1H3/t16-/m0/s1
InChIKeyJCMRTXMGGOJQPD-INIZCTEOSA-N
XLogP2.73
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone
CID 110218849
2-(4-ethoxyphenyl)-1-[(2R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92593704
2-(4-methoxyphenyl)-1-[2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]ethanone
CID 110218844
(2,6-dimethoxyphenyl)-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone
CID 92600497
1-[2-(aminomethyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 116639946
1-[2-(tert-butylsulfanylmethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 119105799
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 79548752
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 79540297
2-(3-methylphenyl)-1-[(2S)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92560656
2-(3-methylphenyl)-1-[(2R)-2-[1-methyl-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 92560655
1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 92555828
2-(3-methylphenyl)-1-[2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 110217599

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone (CID 92560694) is 2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone is Cc1cccc(CC(=O)N2CCCC[C@H]2c2ccnc3ncnn23)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
The InChIKey is JCMRTXMGGOJQPD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-5-4-6-15(11-14)12-18(25)23-10-3-2-7-16(23)17-8-9-20-19-21-13-22-24(17)19/h4-6,8-9,11,13,16H,2-3,7,10,12H2,1H3/t16-/m0/s1.
What are the key properties of 2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone has a molecular weight of 335.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 92560694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).