2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

C19H17N5O2 — CID 3632338

IUPAC2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1nc2n(n1)C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C19H17N5O2/c1-12-7-5-6-10-14(12)17(26)21-18-22-19-20-16(25)11-15(24(19)23-18)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3,(H2,20,21,22,23,25,26)
InChIKeyJIGQQFHWZNUXHB-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.77
Rot. Bonds3

About 2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 3632338) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID3632338
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1nc2n(n1)C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C19H17N5O2/c1-12-7-5-6-10-14(12)17(26)21-18-22-19-20-16(25)11-15(24(19)23-18)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3,(H2,20,21,22,23,25,26)
InChIKeyJIGQQFHWZNUXHB-UHFFFAOYSA-N
XLogP2.77
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of 2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 3632338) is 2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for 2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is Cc1ccccc1C(=O)Nc1nc2n(n1)C(c1ccccc1)CC(=O)N2.
What is the InChIKey of 2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is JIGQQFHWZNUXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-7-5-6-10-14(12)17(26)21-18-22-19-20-16(25)11-15(24(19)23-18)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3,(H2,20,21,22,23,25,26).
What are the key properties of 2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 347.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 3632338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).