7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C11H8ClN5O — CID 135633641

IUPAC7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESNc1cc(=O)[nH]c2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C11H8ClN5O/c12-7-3-1-6(2-4-7)10-15-11-14-9(18)5-8(13)17(11)16-10/h1-5H,13H2,(H,14,15,16,18)
InChIKeyHHEGPLQDCOLCQZ-UHFFFAOYSA-N
MW261.67 g/mol
LogP1.32
Rot. Bonds1

About 7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 135633641) has the molecular formula C11H8ClN5O and a molecular weight of 261.67 g/mol. Its IUPAC name is 7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID135633641
Molecular FormulaC11H8ClN5O
Molecular Weight261.67 g/mol
Exact Mass261.04
IUPAC Name7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESNc1cc(=O)[nH]c2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C11H8ClN5O/c12-7-3-1-6(2-4-7)10-15-11-14-9(18)5-8(13)17(11)16-10/h1-5H,13H2,(H,14,15,16,18)
InChIKeyHHEGPLQDCOLCQZ-UHFFFAOYSA-N
XLogP1.32
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 135633641) is 7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Nc1cc(=O)[nH]c2nc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of 7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is HHEGPLQDCOLCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O/c12-7-3-1-6(2-4-7)10-15-11-14-9(18)5-8(13)17(11)16-10/h1-5H,13H2,(H,14,15,16,18).
What are the key properties of 7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 261.67 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(4-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135633641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).