[4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone

C19H21N5O — CID 146045172

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccn4ncnc4c3)CC2)c1C
InChIInChI=1S/C19H21N5O/c1-14-4-3-5-17(15(14)2)22-8-10-23(11-9-22)19(25)16-6-7-24-18(12-16)20-13-21-24/h3-7,12-13H,8-11H2,1-2H3
InChIKeyWQJDJRKKTBAGSI-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.31
Rot. Bonds2

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone (PubChem CID 146045172) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone
PubChem CID146045172
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccn4ncnc4c3)CC2)c1C
InChIInChI=1S/C19H21N5O/c1-14-4-3-5-17(15(14)2)22-8-10-23(11-9-22)19(25)16-6-7-24-18(12-16)20-13-21-24/h3-7,12-13H,8-11H2,1-2H3
InChIKeyWQJDJRKKTBAGSI-UHFFFAOYSA-N
XLogP2.31
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone 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-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanone
CID 53196908
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 17471283
(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
(5,6-dichloro-3-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102498
1,3-benzothiazol-6-yl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102399
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
[2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109165914
2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 8968543
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone (CID 146045172) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone is Cc1cccc(N2CCN(C(=O)c3ccn4ncnc4c3)CC2)c1C.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone?
The InChIKey is WQJDJRKKTBAGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-4-3-5-17(15(14)2)22-8-10-23(11-9-22)19(25)16-6-7-24-18(12-16)20-13-21-24/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone is sourced from PubChem (CID 146045172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).