N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide

C24H25N5O2 — CID 7342963

IUPACN-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide
SMILESCc1nc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)[nH]n2c(=O)c1Cc1ccccc1
InChIInChI=1S/C24H25N5O2/c1-15-19(14-16-8-6-5-7-9-16)21(31)29-23(25-15)27-22(28-29)26-20(30)17-10-12-18(13-11-17)24(2,3)4/h5-13H,14H2,1-4H3,(H2,25,26,27,28,30)
InChIKeyJYWDXCHJRFMNNM-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.87
Rot. Bonds4

About N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide

N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide (PubChem CID 7342963) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide
PubChem CID7342963
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide
SMILESCc1nc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)[nH]n2c(=O)c1Cc1ccccc1
InChIInChI=1S/C24H25N5O2/c1-15-19(14-16-8-6-5-7-9-16)21(31)29-23(25-15)27-22(28-29)26-20(30)17-10-12-18(13-11-17)24(2,3)4/h5-13H,14H2,1-4H3,(H2,25,26,27,28,30)
InChIKeyJYWDXCHJRFMNNM-UHFFFAOYSA-N
XLogP3.87
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-hydrazinyl-5-methyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 135415731
2-{[4-(propan-2-yl)benzyl]amino}-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 2027973
5,5-Diethyl-2-hydrazinyl-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135496455
2-Hydrazinyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135466692
N-(7-hydroxy-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
CID 661836
4-methyl-N-(7-oxo-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 929965
6-benzyl-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1264955
2-amino-5-cyclopropyl-6-[(4-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155535293
N-{7-Hydroxy-5-phenyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}-2-methylbenzamide
CID 16013914
4-tert-butyl-N-(6-chloro-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 6485805
6-Benzyl-2-{[(4-ethylphenyl)methyl]amino}-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidin-7-one
CID 4439670
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzamide
CID 930029

Frequently Asked Questions

What is the IUPAC name of N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide?
The IUPAC name of N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide (CID 7342963) is N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide?
The canonical SMILES for N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide is Cc1nc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)[nH]n2c(=O)c1Cc1ccccc1.
What is the InChIKey of N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide?
The InChIKey is JYWDXCHJRFMNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15-19(14-16-8-6-5-7-9-16)21(31)29-23(25-15)27-22(28-29)26-20(30)17-10-12-18(13-11-17)24(2,3)4/h5-13H,14H2,1-4H3,(H2,25,26,27,28,30).
What are the key properties of N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide?
N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide has a molecular weight of 415.50 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-tert-butylbenzamide is sourced from PubChem (CID 7342963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).