2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C19H19N7O — CID 15761651

IUPAC2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccccn3)CC2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C19H19N7O/c1-14-13-17(25-10-8-24(9-11-25)16-6-2-3-7-20-16)26-19(21-14)22-18(23-26)15-5-4-12-27-15/h2-7,12-13H,8-11H2,1H3
InChIKeyLNDFECKBADFCFF-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.41
Rot. Bonds3

About 2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 15761651) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID15761651
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccccn3)CC2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C19H19N7O/c1-14-13-17(25-10-8-24(9-11-25)16-6-2-3-7-20-16)26-19(21-14)22-18(23-26)15-5-4-12-27-15/h2-7,12-13H,8-11H2,1H3
InChIKeyLNDFECKBADFCFF-UHFFFAOYSA-N
XLogP2.41
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 15761651) is 2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(c3ccccn3)CC2)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LNDFECKBADFCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-14-13-17(25-10-8-24(9-11-25)16-6-2-3-7-20-16)26-19(21-14)22-18(23-26)15-5-4-12-27-15/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 361.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15761651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).