5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H18N6O2 — CID 6501309

IUPAC5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C(=O)N3CCN(c4ccccc4)CC3)nc2n1
InChIInChI=1S/C17H18N6O2/c1-12-11-14(24)23-17(18-12)19-15(20-23)16(25)22-9-7-21(8-10-22)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,18,19,20)
InChIKeyPPQZMLQFUOXUQR-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.69
Rot. Bonds2

About 5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 6501309) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID6501309
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C(=O)N3CCN(c4ccccc4)CC3)nc2n1
InChIInChI=1S/C17H18N6O2/c1-12-11-14(24)23-17(18-12)19-15(20-23)16(25)22-9-7-21(8-10-22)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,18,19,20)
InChIKeyPPQZMLQFUOXUQR-UHFFFAOYSA-N
XLogP0.69
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 6501309) is 5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C(=O)N3CCN(c4ccccc4)CC3)nc2n1.
What is the InChIKey of 5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PPQZMLQFUOXUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-12-11-14(24)23-17(18-12)19-15(20-23)16(25)22-9-7-21(8-10-22)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,18,19,20).
What are the key properties of 5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 338.37 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-phenylpiperazine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 6501309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).