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

C21H19N5O — CID 110300483

IUPACN-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
SMILESCCN(C(=O)c1ccc(-c2nnc3ncccn23)cc1)c1cccc(C)c1
InChIInChI=1S/C21H19N5O/c1-3-25(18-7-4-6-15(2)14-18)20(27)17-10-8-16(9-11-17)19-23-24-21-22-12-5-13-26(19)21/h4-14H,3H2,1-2H3
InChIKeySCKQVHOUZFMYBY-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.77
Rot. Bonds4

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

N-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide (PubChem CID 110300483) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
PubChem CID110300483
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
SMILESCCN(C(=O)c1ccc(-c2nnc3ncccn23)cc1)c1cccc(C)c1
InChIInChI=1S/C21H19N5O/c1-3-25(18-7-4-6-15(2)14-18)20(27)17-10-8-16(9-11-17)19-23-24-21-22-12-5-13-26(19)21/h4-14H,3H2,1-2H3
InChIKeySCKQVHOUZFMYBY-UHFFFAOYSA-N
XLogP3.77
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dipropyl-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300405
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026
N-ethyl-3-hydroxy-N-(3-methylphenyl)pyridine-2-carboxamide
CID 61104536
N-(2,4-dimethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300415
N-(2-ethylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide
CID 110300421
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549
N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044713
N-ethyl-N-(3-methylphenyl)-3-pyrrol-1-ylbenzamide
CID 110295328
N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109161223

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide (CID 110300483) is N-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide is CCN(C(=O)c1ccc(-c2nnc3ncccn23)cc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
The InChIKey is SCKQVHOUZFMYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-3-25(18-7-4-6-15(2)14-18)20(27)17-10-8-16(9-11-17)19-23-24-21-22-12-5-13-26(19)21/h4-14H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide?
N-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide has a molecular weight of 357.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 110300483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).