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

C16H16ClN5O2 — CID 135448486

IUPACN-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide
SMILESCCCCC(=O)Nc1cc(=O)[nH]c2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C16H16ClN5O2/c1-2-3-4-13(23)18-12-9-14(24)19-16-20-15(21-22(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,23)(H,19,20,21,24)
InChIKeyGEETZZHLTYZSMF-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.87
Rot. Bonds5

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

N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide (PubChem CID 135448486) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide
PubChem CID135448486
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide
SMILESCCCCC(=O)Nc1cc(=O)[nH]c2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C16H16ClN5O2/c1-2-3-4-13(23)18-12-9-14(24)19-16-20-15(21-22(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,23)(H,19,20,21,24)
InChIKeyGEETZZHLTYZSMF-UHFFFAOYSA-N
XLogP2.87
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide (CID 135448486) is N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide is CCCCC(=O)Nc1cc(=O)[nH]c2nc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide?
The InChIKey is GEETZZHLTYZSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-2-3-4-13(23)18-12-9-14(24)19-16-20-15(21-22(12)16)10-5-7-11(17)8-6-10/h5-9H,2-4H2,1H3,(H,18,23)(H,19,20,21,24).
What are the key properties of N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide?
N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide has a molecular weight of 345.79 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentanamide is sourced from PubChem (CID 135448486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).