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

C16H15FN6O — CID 821825

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESO=C(c1nc2ncccn2n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H15FN6O/c17-12-2-4-13(5-3-12)21-8-10-22(11-9-21)15(24)14-19-16-18-6-1-7-23(16)20-14/h1-7H,8-11H2
InChIKeyRPWVYUQQIAPVCV-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.23
Rot. Bonds2

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

[4-(4-fluorophenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 821825) has the molecular formula C16H15FN6O and a molecular weight of 326.34 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID821825
Molecular FormulaC16H15FN6O
Molecular Weight326.34 g/mol
Exact Mass326.13
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESO=C(c1nc2ncccn2n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H15FN6O/c17-12-2-4-13(5-3-12)21-8-10-22(11-9-21)15(24)14-19-16-18-6-1-7-23(16)20-14/h1-7H,8-11H2
InChIKeyRPWVYUQQIAPVCV-UHFFFAOYSA-N
XLogP1.23
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 821825) is [4-(4-fluorophenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is O=C(c1nc2ncccn2n1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is RPWVYUQQIAPVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c17-12-2-4-13(5-3-12)21-8-10-22(11-9-21)15(24)14-19-16-18-6-1-7-23(16)20-14/h1-7H,8-11H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 326.34 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 821825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).