2-amino-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H9N5O — CID 681947

IUPAC2-amino-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C11H9N5O/c12-10-14-11-13-8(6-9(17)16(11)15-10)7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15)
InChIKeyYDGIHHUDHWRDOH-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.67
Rot. Bonds1

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

2-amino-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 681947) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-amino-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID681947
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name2-amino-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C11H9N5O/c12-10-14-11-13-8(6-9(17)16(11)15-10)7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15)
InChIKeyYDGIHHUDHWRDOH-UHFFFAOYSA-N
XLogP0.67
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Phenyl-s-triazolo(1,5-a)pyrimidin-7-ol
CID 202792
6-Ethyl-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 684434
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-phenyl-
CID 2818813
2-Methyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 666383
5-methyl-2-phenyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 737203
2-amino-5-cyclopropyl-6-[(3-iodophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155562719
2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 2033843
2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 661929
5,6-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 810712
5-(chloromethyl)-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 58447996
2-Amino-6-phenylpyrimidin-4-ol
CID 135420365
5-Phenyltetrazolo[1,5-A]pyrimidin-7-Ol
CID 2077879

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 681947) is 2-amino-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1.
What is the InChIKey of 2-amino-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YDGIHHUDHWRDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-10-14-11-13-8(6-9(17)16(11)15-10)7-4-2-1-3-5-7/h1-6H,(H3,12,13,14,15).
What are the key properties of 2-amino-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 227.23 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 681947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).