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

C14H13N5O2 — CID 930029

IUPAC4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc3nc(C)cc(=O)n3[nH]2)cc1
InChIInChI=1S/C14H13N5O2/c1-8-3-5-10(6-4-8)12(21)16-13-17-14-15-9(2)7-11(20)19(14)18-13/h3-7H,1-2H3,(H2,15,16,17,18,21)
InChIKeyVNJKIEALUFZKJX-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.29
Rot. Bonds2

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

4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 930029) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID930029
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc3nc(C)cc(=O)n3[nH]2)cc1
InChIInChI=1S/C14H13N5O2/c1-8-3-5-10(6-4-8)12(21)16-13-17-14-15-9(2)7-11(20)19(14)18-13/h3-7H,1-2H3,(H2,15,16,17,18,21)
InChIKeyVNJKIEALUFZKJX-UHFFFAOYSA-N
XLogP1.29
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 930338
3-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 6485779
N-(4-bromophenyl)-4-[[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]methyl]benzamide
CID 50751953
4-methyl-N-[5-[[(4-nitrophenyl)methylamino]methyl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide
CID 170066721
2-(4-methoxyphenyl)-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 23607375
2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 66490209
N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenoxypropanamide
CID 23607376
N-(6-chloro-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,4-dimethoxybenzamide
CID 23607384
4-methoxy-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzamide
CID 46268222
CID 156868790
CID 156868790
2-[1,2-dihydroxy-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14985283
N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 23607412

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of 4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 930029) is 4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for 4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is Cc1ccc(C(=O)Nc2nc3nc(C)cc(=O)n3[nH]2)cc1.
What is the InChIKey of 4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is VNJKIEALUFZKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-8-3-5-10(6-4-8)12(21)16-13-17-14-15-9(2)7-11(20)19(14)18-13/h3-7H,1-2H3,(H2,15,16,17,18,21).
What are the key properties of 4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 283.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 930029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).