2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C26H25N7O — CID 10217008

IUPAC2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2cccc(CN3CCN(c4ccccc4)CC3)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C26H25N7O/c27-26-28-22(17-24-29-25(30-33(24)26)23-10-5-15-34-23)20-7-4-6-19(16-20)18-31-11-13-32(14-12-31)21-8-2-1-3-9-21/h1-10,15-17H,11-14,18H2,(H2,27,28)
InChIKeyFGGNAZTZLVVXBO-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.96
Rot. Bonds5

About 2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 10217008) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID10217008
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2cccc(CN3CCN(c4ccccc4)CC3)c2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C26H25N7O/c27-26-28-22(17-24-29-25(30-33(24)26)23-10-5-15-34-23)20-7-4-6-19(16-20)18-31-11-13-32(14-12-31)21-8-2-1-3-9-21/h1-10,15-17H,11-14,18H2,(H2,27,28)
InChIKeyFGGNAZTZLVVXBO-UHFFFAOYSA-N
XLogP3.96
TPSA88.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 10217008) is 2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2cccc(CN3CCN(c4ccccc4)CC3)c2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is FGGNAZTZLVVXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c27-26-28-22(17-24-29-25(30-33(24)26)23-10-5-15-34-23)20-7-4-6-19(16-20)18-31-11-13-32(14-12-31)21-8-2-1-3-9-21/h1-10,15-17H,11-14,18H2,(H2,27,28).
What are the key properties of 2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 451.53 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 10217008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).