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

C17H19N5O2 — CID 135465198

IUPACN-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide
SMILESCCCCC(=O)Nc1cc(=O)[nH]c2nc(-c3ccc(C)cc3)nn12
InChIInChI=1S/C17H19N5O2/c1-3-4-5-14(23)18-13-10-15(24)19-17-20-16(21-22(13)17)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3,(H,18,23)(H,19,20,21,24)
InChIKeyCHMZNYDQPIQCIB-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.52
Rot. Bonds5

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

N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide (PubChem CID 135465198) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide
PubChem CID135465198
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide
SMILESCCCCC(=O)Nc1cc(=O)[nH]c2nc(-c3ccc(C)cc3)nn12
InChIInChI=1S/C17H19N5O2/c1-3-4-5-14(23)18-13-10-15(24)19-17-20-16(21-22(13)17)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3,(H,18,23)(H,19,20,21,24)
InChIKeyCHMZNYDQPIQCIB-UHFFFAOYSA-N
XLogP2.52
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide
CID 135448562
3,4,5-trimethoxy-N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135400173
N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135400147
3-bromo-N-(5-oxo-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135400078
N-(2-butyl-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135400104
4-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzamide
CID 135520826
N-[2-(furan-2-yl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylbutanamide
CID 135532027
4-tert-butyl-N-(5-oxo-2-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135520813
N-(4-methylphenyl)pentanamide
CID 3662375
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide
CID 135753051
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide?
The IUPAC name of N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide (CID 135465198) is N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide?
The canonical SMILES for N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide is CCCCC(=O)Nc1cc(=O)[nH]c2nc(-c3ccc(C)cc3)nn12.
What is the InChIKey of N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide?
The InChIKey is CHMZNYDQPIQCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-3-4-5-14(23)18-13-10-15(24)19-17-20-16(21-22(13)17)12-8-6-11(2)7-9-12/h6-10H,3-5H2,1-2H3,(H,18,23)(H,19,20,21,24).
What are the key properties of N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide?
N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide has a molecular weight of 325.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide is sourced from PubChem (CID 135465198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).