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

C16H18N4O — CID 666509

IUPAC2-(2-phenylethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(CCc3ccccc3)nc2n1
InChIInChI=1S/C16H18N4O/c1-2-6-13-11-15(21)20-16(17-13)18-14(19-20)10-9-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,17,18,19)
InChIKeyLAXZOUSHRJAYIT-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.16
Rot. Bonds5

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

2-(2-phenylethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 666509) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(2-phenylethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2-phenylethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID666509
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-(2-phenylethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(CCc3ccccc3)nc2n1
InChIInChI=1S/C16H18N4O/c1-2-6-13-11-15(21)20-16(17-13)18-14(19-20)10-9-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,17,18,19)
InChIKeyLAXZOUSHRJAYIT-UHFFFAOYSA-N
XLogP2.16
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(2-phenylethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 666509) is 2-(2-phenylethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(2-phenylethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(2-phenylethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(CCc3ccccc3)nc2n1.
What is the InChIKey of 2-(2-phenylethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LAXZOUSHRJAYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-6-13-11-15(21)20-16(17-13)18-14(19-20)10-9-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,17,18,19).
What are the key properties of 2-(2-phenylethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(2-phenylethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 282.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 666509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).