[4-(4-fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

C17H17FN6O — CID 2528622

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1ccnc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn12
InChIInChI=1S/C17H17FN6O/c1-12-6-7-19-17-20-15(21-24(12)17)16(25)23-10-8-22(9-11-23)14-4-2-13(18)3-5-14/h2-7H,8-11H2,1H3
InChIKeyNJUSPWQCYVJTRG-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.53
Rot. Bonds2

About [4-(4-fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 2528622) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID2528622
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCc1ccnc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn12
InChIInChI=1S/C17H17FN6O/c1-12-6-7-19-17-20-15(21-24(12)17)16(25)23-10-8-22(9-11-23)14-4-2-13(18)3-5-14/h2-7H,8-11H2,1H3
InChIKeyNJUSPWQCYVJTRG-UHFFFAOYSA-N
XLogP1.53
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.53
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]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 2528622) is [4-(4-fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is Cc1ccnc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn12.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is NJUSPWQCYVJTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-12-6-7-19-17-20-15(21-24(12)17)16(25)23-10-8-22(9-11-23)14-4-2-13(18)3-5-14/h2-7H,8-11H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 340.36 g/mol, XLogP of 1.53, 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]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 2528622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).