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

C19H15N5O3 — CID 661869

IUPAC4-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3nc(-c4ccccc4)cc(=O)n3[nH]2)cc1
InChIInChI=1S/C19H15N5O3/c1-27-14-9-7-13(8-10-14)17(26)21-18-22-19-20-15(11-16(25)24(19)23-18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,21,22,23,26)
InChIKeyVLWCTWGKJXOCRL-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.35
Rot. Bonds4

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

4-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 661869) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 4-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID661869
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name4-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc3nc(-c4ccccc4)cc(=O)n3[nH]2)cc1
InChIInChI=1S/C19H15N5O3/c1-27-14-9-7-13(8-10-14)17(26)21-18-22-19-20-15(11-16(25)24(19)23-18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,21,22,23,26)
InChIKeyVLWCTWGKJXOCRL-UHFFFAOYSA-N
XLogP2.35
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-(7-oxo-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 1877725
N-[N'-(4-Methoxy-benzoyl)-hydrazinocarbothioyl]-benzamide
CID 3132650
4-methoxy-N-{[2-(4-methylbenzoyl)hydrazino]carbothioyl}benzamide
CID 1789033
N-(4-Methoxy-benzoyl)-N''-(4-phenyl-butyl)-guanidine
CID 9799052
4-methoxy-N-(4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135444505
6-benzyl-2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 667143
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide
CID 930080
4-methoxy-N-{[2-(3-phenylpropanoyl)hydrazino]carbothioyl}benzamide
CID 1790695
4-Methoxy-N-[N'-(4-methoxy-benzoyl)-hydrazinocarbothioyl]-benzamide
CID 1932898
2-[(4-methoxybenzyl)amino]-3,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 1970334
N-(7-hydroxy-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methoxybenzamide
CID 6485785
2-amino-5-cyclopropyl-6-[(4-methoxyphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155527193

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 661869) is 4-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is COc1ccc(C(=O)Nc2nc3nc(-c4ccccc4)cc(=O)n3[nH]2)cc1.
What is the InChIKey of 4-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is VLWCTWGKJXOCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-27-14-9-7-13(8-10-14)17(26)21-18-22-19-20-15(11-16(25)24(19)23-18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,21,22,23,26).
What are the key properties of 4-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
4-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 361.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 661869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).