2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H11N5O — CID 135460506

IUPAC2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNc1nc2n(n1)C(=O)CC(c1ccccc1)N2
InChIInChI=1S/C11H11N5O/c12-10-14-11-13-8(6-9(17)16(11)15-10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H3,12,13,14,15)
InChIKeyUZQIHNPCAIVZOX-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.06
Rot. Bonds1

About 2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 135460506) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID135460506
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNc1nc2n(n1)C(=O)CC(c1ccccc1)N2
InChIInChI=1S/C11H11N5O/c12-10-14-11-13-8(6-9(17)16(11)15-10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H3,12,13,14,15)
InChIKeyUZQIHNPCAIVZOX-UHFFFAOYSA-N
XLogP1.06
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 135460506) is 2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Nc1nc2n(n1)C(=O)CC(c1ccccc1)N2.
What is the InChIKey of 2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UZQIHNPCAIVZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c12-10-14-11-13-8(6-9(17)16(11)15-10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H3,12,13,14,15).
What are the key properties of 2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 229.24 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-phenyl-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 135460506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).