2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C22H22N6O — CID 23613912

IUPAC2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCN(c3ccccc3)CC2)nc2nc(-c3ccccc3)[nH]n12
InChIInChI=1S/C22H22N6O/c29-20-15-18(16-26-11-13-27(14-12-26)19-9-5-2-6-10-19)23-22-24-21(25-28(20)22)17-7-3-1-4-8-17/h1-10,15H,11-14,16H2,(H,23,24,25)
InChIKeyGOGAAKOPRBSOEQ-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.41
Rot. Bonds4

About 2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 23613912) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID23613912
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCN(c3ccccc3)CC2)nc2nc(-c3ccccc3)[nH]n12
InChIInChI=1S/C22H22N6O/c29-20-15-18(16-26-11-13-27(14-12-26)19-9-5-2-6-10-19)23-22-24-21(25-28(20)22)17-7-3-1-4-8-17/h1-10,15H,11-14,16H2,(H,23,24,25)
InChIKeyGOGAAKOPRBSOEQ-UHFFFAOYSA-N
XLogP2.41
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 23613912) is 2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(CN2CCN(c3ccccc3)CC2)nc2nc(-c3ccccc3)[nH]n12.
What is the InChIKey of 2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GOGAAKOPRBSOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c29-20-15-18(16-26-11-13-27(14-12-26)19-9-5-2-6-10-19)23-22-24-21(25-28(20)22)17-7-3-1-4-8-17/h1-10,15H,11-14,16H2,(H,23,24,25).
What are the key properties of 2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 386.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 23613912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).