3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one

C19H21N5O — CID 83278566

IUPAC3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C19H21N5O/c25-18(10-9-16-6-2-1-3-7-16)22-12-14-23(15-13-22)19-21-20-17-8-4-5-11-24(17)19/h1-8,11H,9-10,12-15H2
InChIKeyXUXXTDJUUDYIKF-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.01
Rot. Bonds4

About 3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one

3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 83278566) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
PubChem CID83278566
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2nnc3ccccn23)CC1
InChIInChI=1S/C19H21N5O/c25-18(10-9-16-6-2-1-3-7-16)22-12-14-23(15-13-22)19-21-20-17-8-4-5-11-24(17)19/h1-8,11H,9-10,12-15H2
InChIKeyXUXXTDJUUDYIKF-UHFFFAOYSA-N
XLogP2.01
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
CID 53203397
3-cyclopentyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 53203453
3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one
CID 75490376
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060327
1-[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 53203723
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121053737
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one
CID 75490177
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 45284165
1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113079354

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one (CID 83278566) is 3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCN(c2nnc3ccccn23)CC1.
What is the InChIKey of 3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is XUXXTDJUUDYIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-18(10-9-16-6-2-1-3-7-16)22-12-14-23(15-13-22)19-21-20-17-8-4-5-11-24(17)19/h1-8,11H,9-10,12-15H2.
What are the key properties of 3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one?
3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 335.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 83278566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).