2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide

C18H21N7O — CID 146040623

IUPAC2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCc1cccc(-n2nc(CC(N)=O)nc2C2CCn3ncnc3C2)c1C
InChIInChI=1S/C18H21N7O/c1-11-4-3-5-14(12(11)2)25-18(22-16(23-25)9-15(19)26)13-6-7-24-17(8-13)20-10-21-24/h3-5,10,13H,6-9H2,1-2H3,(H2,19,26)
InChIKeyQRHSCVLCNLFYQG-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.23
Rot. Bonds4

About 2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide

2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 146040623) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID146040623
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCc1cccc(-n2nc(CC(N)=O)nc2C2CCn3ncnc3C2)c1C
InChIInChI=1S/C18H21N7O/c1-11-4-3-5-14(12(11)2)25-18(22-16(23-25)9-15(19)26)13-6-7-24-17(8-13)20-10-21-24/h3-5,10,13H,6-9H2,1-2H3,(H2,19,26)
InChIKeyQRHSCVLCNLFYQG-UHFFFAOYSA-N
XLogP1.23
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide with MolForge

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Related Compounds

2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 154819491
2-[1-(2,3-dimethylphenyl)-5-(1,3-dimethylpyrrolidin-3-yl)-1,2,4-triazol-3-yl]acetamide
CID 131896401
2-[4-[2-(2-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
CID 50968658
2-[1-(2-fluorophenyl)-5-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-triazol-3-yl]acetamide
CID 72853376
(3S)-3-[2-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 97281709
(2S)-2-[2-(2-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-1-carboxamide
CID 72843936
N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 146038175
1-(2,3-dimethylphenyl)-5-(oxolan-2-yl)pyrazole-3-carboxylic acid
CID 82361985
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide
CID 108532094
[2-(cyclopentylamino)pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109297901
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 4188285

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide (CID 146040623) is 2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide is Cc1cccc(-n2nc(CC(N)=O)nc2C2CCn3ncnc3C2)c1C.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is QRHSCVLCNLFYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-11-4-3-5-14(12(11)2)25-18(22-16(23-25)9-15(19)26)13-6-7-24-17(8-13)20-10-21-24/h3-5,10,13H,6-9H2,1-2H3,(H2,19,26).
What are the key properties of 2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide?
2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 146040623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).