5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C14H14N4O — CID 94076766

IUPAC5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCc1cc2n[nH]c(=O)n2c(-c2ccccc2)n1
InChIInChI=1S/C14H14N4O/c1-2-6-11-9-12-16-17-14(19)18(12)13(15-11)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,17,19)
InChIKeyFGNCKNOFWDVIRZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.04
Rot. Bonds3

About 5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 94076766) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID94076766
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCc1cc2n[nH]c(=O)n2c(-c2ccccc2)n1
InChIInChI=1S/C14H14N4O/c1-2-6-11-9-12-16-17-14(19)18(12)13(15-11)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,17,19)
InChIKeyFGNCKNOFWDVIRZ-UHFFFAOYSA-N
XLogP2.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 94076766) is 5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCCc1cc2n[nH]c(=O)n2c(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is FGNCKNOFWDVIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-6-11-9-12-16-17-14(19)18(12)13(15-11)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,17,19).
What are the key properties of 5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 254.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-propyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 94076766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).