N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide

C20H17N5O — CID 110300415

IUPACN-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nnc4ncccn34)cc2)c(C)c1
InChIInChI=1S/C20H17N5O/c1-13-4-9-17(14(2)12-13)22-19(26)16-7-5-15(6-8-16)18-23-24-20-21-10-3-11-25(18)20/h3-12H,1-2H3,(H,22,26)
InChIKeyOAIJVDVTFGCWRM-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.66
Rot. Bonds3

About N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide

N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide (PubChem CID 110300415) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
PubChem CID110300415
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nnc4ncccn34)cc2)c(C)c1
InChIInChI=1S/C20H17N5O/c1-13-4-9-17(14(2)12-13)22-19(26)16-7-5-15(6-8-16)18-23-24-20-21-10-3-11-25(18)20/h3-12H,1-2H3,(H,22,26)
InChIKeyOAIJVDVTFGCWRM-UHFFFAOYSA-N
XLogP3.66
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetyl-2-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110618449
N-(2,4-difluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300473
N-(2,4-dimethoxyphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300450
N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300421
N-(2-bromophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300467
N-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300429
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
4-methyl-N-(4-oxopyrimido[1,2-a]pyrimidin-3-yl)benzamide
CID 18891669
N-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704035
N-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300483
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzamide
CID 121033061

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide (CID 110300415) is N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide is Cc1ccc(NC(=O)c2ccc(-c3nnc4ncccn34)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The InChIKey is OAIJVDVTFGCWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-4-9-17(14(2)12-13)22-19(26)16-7-5-15(6-8-16)18-23-24-20-21-10-3-11-25(18)20/h3-12H,1-2H3,(H,22,26).
What are the key properties of N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide has a molecular weight of 343.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 110300415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).