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

C12H9N5O2 — CID 135456285

IUPACN-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c2ncnn12)c1ccccc1
InChIInChI=1S/C12H9N5O2/c18-10-6-9(17-12(16-10)13-7-14-17)15-11(19)8-4-2-1-3-5-8/h1-7H,(H,15,19)(H,13,14,16,18)
InChIKeyDLGKPRNBXZYIKC-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.67
Rot. Bonds2

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

N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide (PubChem CID 135456285) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide.

Molecular Properties

Compound NameN-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
PubChem CID135456285
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC NameN-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
SMILESO=C(Nc1cc(=O)[nH]c2ncnn12)c1ccccc1
InChIInChI=1S/C12H9N5O2/c18-10-6-9(17-12(16-10)13-7-14-17)15-11(19)8-4-2-1-3-5-8/h1-7H,(H,15,19)(H,13,14,16,18)
InChIKeyDLGKPRNBXZYIKC-UHFFFAOYSA-N
XLogP0.67
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 5070088
4-methyl-N-4H-1,2,4-triazol-3-ylbenzamide
CID 871044
N-(1,2,4)Triazol-4-YL-benzamide
CID 676579
2-fluoro-N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135465188
3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 807820
7-phenyl-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one
CID 2933025
2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 576827
4-tert-butyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 595272
6-phenyl-6,9-dihydropyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine-5,8(4H,7H)-dione
CID 135413661
4-(4-methylbenzoyl)-4H-1,2,4-triazol-3-amine
CID 892616
4-(3-methylbenzoyl)-4H-1,2,4-triazol-3-amine
CID 894972
4-(3,5-dimethylbenzoyl)-4H-1,2,4-triazol-3-amine
CID 912604

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The IUPAC name of N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide (CID 135456285) is N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide.
What is the SMILES notation for N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The canonical SMILES for N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide is O=C(Nc1cc(=O)[nH]c2ncnn12)c1ccccc1.
What is the InChIKey of N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
The InChIKey is DLGKPRNBXZYIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c18-10-6-9(17-12(16-10)13-7-14-17)15-11(19)8-4-2-1-3-5-8/h1-7H,(H,15,19)(H,13,14,16,18).
What are the key properties of N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide?
N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide has a molecular weight of 255.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide is sourced from PubChem (CID 135456285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).