(4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

C16H16N6O — CID 821809

IUPAC(4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESO=C(c1nc2ncccn2n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H16N6O/c23-15(14-18-16-17-7-4-8-22(16)19-14)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyAUMOLWWXGNYFBH-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.09
Rot. Bonds2

About (4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

(4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 821809) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID821809
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name(4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESO=C(c1nc2ncccn2n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H16N6O/c23-15(14-18-16-17-7-4-8-22(16)19-14)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyAUMOLWWXGNYFBH-UHFFFAOYSA-N
XLogP1.09
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 821809) is (4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is O=C(c1nc2ncccn2n1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is AUMOLWWXGNYFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-15(14-18-16-17-7-4-8-22(16)19-14)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-8H,9-12H2.
What are the key properties of (4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
(4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 308.35 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 821809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).