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

C14H16N4O — CID 502188

IUPAC7-phenyl-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCc1nc2n(n1)C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C14H16N4O/c1-2-6-12-15-14-16-13(19)9-11(18(14)17-12)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H,15,16,17,19)
InChIKeyXYJMDOGPTGPOOD-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.16
Rot. Bonds3

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

7-phenyl-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 502188) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 7-phenyl-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-phenyl-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID502188
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name7-phenyl-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCc1nc2n(n1)C(c1ccccc1)CC(=O)N2
InChIInChI=1S/C14H16N4O/c1-2-6-12-15-14-16-13(19)9-11(18(14)17-12)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H,15,16,17,19)
InChIKeyXYJMDOGPTGPOOD-UHFFFAOYSA-N
XLogP2.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-phenyl-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 502188) is 7-phenyl-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-phenyl-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-phenyl-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCCc1nc2n(n1)C(c1ccccc1)CC(=O)N2.
What is the InChIKey of 7-phenyl-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is XYJMDOGPTGPOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-6-12-15-14-16-13(19)9-11(18(14)17-12)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H,15,16,17,19).
What are the key properties of 7-phenyl-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-phenyl-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 256.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 502188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).