2-benzyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H16N4O — CID 935434

IUPAC2-benzyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(Cc3ccccc3)nc2n1
InChIInChI=1S/C15H16N4O/c1-2-6-12-10-14(20)19-15(16-12)17-13(18-19)9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,16,17,18)
InChIKeyYACKIGSMSJZRFC-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.96
Rot. Bonds4

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

2-benzyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 935434) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-benzyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-benzyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID935434
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-benzyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(Cc3ccccc3)nc2n1
InChIInChI=1S/C15H16N4O/c1-2-6-12-10-14(20)19-15(16-12)17-13(18-19)9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,16,17,18)
InChIKeyYACKIGSMSJZRFC-UHFFFAOYSA-N
XLogP1.96
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-benzyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 935434) is 2-benzyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-benzyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-benzyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(Cc3ccccc3)nc2n1.
What is the InChIKey of 2-benzyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YACKIGSMSJZRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-6-12-10-14(20)19-15(16-12)17-13(18-19)9-11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,16,17,18).
What are the key properties of 2-benzyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-benzyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 268.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 935434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).