4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide

C19H23N5O2 — CID 135520813

IUPAC4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
SMILESCCCc1nc2[nH]c(=O)cc(NC(=O)c3ccc(C(C)(C)C)cc3)n2n1
InChIInChI=1S/C19H23N5O2/c1-5-6-14-20-18-22-16(25)11-15(24(18)23-14)21-17(26)12-7-9-13(10-8-12)19(2,3)4/h7-11H,5-6H2,1-4H3,(H,21,26)(H,20,22,23,25)
InChIKeyMHVDNZFMGAUDGC-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.92
Rot. Bonds4

About 4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide

4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide (PubChem CID 135520813) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
PubChem CID135520813
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
SMILESCCCc1nc2[nH]c(=O)cc(NC(=O)c3ccc(C(C)(C)C)cc3)n2n1
InChIInChI=1S/C19H23N5O2/c1-5-6-14-20-18-22-16(25)11-15(24(18)23-14)21-17(26)12-7-9-13(10-8-12)19(2,3)4/h7-11H,5-6H2,1-4H3,(H,21,26)(H,20,22,23,25)
InChIKeyMHVDNZFMGAUDGC-UHFFFAOYSA-N
XLogP2.92
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-butyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135400104
4-tert-butyl-N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135456277
N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide
CID 135520836
4-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135520826
N-(2-benzyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide
CID 135472235
4-chloro-N-[5-oxo-2-(phenoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135472180
N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylbenzamide
CID 135520756
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
4-tert-butyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870128
(2S)-N-[2-(4-tert-butylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxolane-2-carboxamide
CID 136749506
N-[2-(2-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-4-carboxamide
CID 135399414
N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135400147

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide (CID 135520813) is 4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide is CCCc1nc2[nH]c(=O)cc(NC(=O)c3ccc(C(C)(C)C)cc3)n2n1.
What is the InChIKey of 4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The InChIKey is MHVDNZFMGAUDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-5-6-14-20-18-22-16(25)11-15(24(18)23-14)21-17(26)12-7-9-13(10-8-12)19(2,3)4/h7-11H,5-6H2,1-4H3,(H,21,26)(H,20,22,23,25).
What are the key properties of 4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide has a molecular weight of 353.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide is sourced from PubChem (CID 135520813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).