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

C11H10ClN5O — CID 135439657

IUPAC2-amino-5-(4-chlorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNc1nc2n(n1)C(=O)CC(c1ccc(Cl)cc1)N2
InChIInChI=1S/C11H10ClN5O/c12-7-3-1-6(2-4-7)8-5-9(18)17-11(14-8)15-10(13)16-17/h1-4,8H,5H2,(H3,13,14,15,16)
InChIKeyGDYFBIZAFQNXCN-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.71
Rot. Bonds1

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

2-amino-5-(4-chlorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 135439657) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 2-amino-5-(4-chlorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-(4-chlorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID135439657
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name2-amino-5-(4-chlorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNc1nc2n(n1)C(=O)CC(c1ccc(Cl)cc1)N2
InChIInChI=1S/C11H10ClN5O/c12-7-3-1-6(2-4-7)8-5-9(18)17-11(14-8)15-10(13)16-17/h1-4,8H,5H2,(H3,13,14,15,16)
InChIKeyGDYFBIZAFQNXCN-UHFFFAOYSA-N
XLogP1.71
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-chlorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-(4-chlorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 135439657) is 2-amino-5-(4-chlorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-(4-chlorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-(4-chlorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Nc1nc2n(n1)C(=O)CC(c1ccc(Cl)cc1)N2.
What is the InChIKey of 2-amino-5-(4-chlorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GDYFBIZAFQNXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c12-7-3-1-6(2-4-7)8-5-9(18)17-11(14-8)15-10(13)16-17/h1-4,8H,5H2,(H3,13,14,15,16).
What are the key properties of 2-amino-5-(4-chlorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5-(4-chlorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 263.69 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-chlorophenyl)-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 135439657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).