N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H15N5O — CID 78899177

IUPACN-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(NCc3cc4ccccc4o3)n3ncnc3n2)cc1
InChIInChI=1S/C20H15N5O/c1-2-6-14(7-3-1)17-11-19(25-20(24-17)22-13-23-25)21-12-16-10-15-8-4-5-9-18(15)26-16/h1-11,13,21H,12H2
InChIKeyKUBYVCWABMOZEU-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.15
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 78899177) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID78899177
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC NameN-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESc1ccc(-c2cc(NCc3cc4ccccc4o3)n3ncnc3n2)cc1
InChIInChI=1S/C20H15N5O/c1-2-6-14(7-3-1)17-11-19(25-20(24-17)22-13-23-25)21-12-16-10-15-8-4-5-9-18(15)26-16/h1-11,13,21H,12H2
InChIKeyKUBYVCWABMOZEU-UHFFFAOYSA-N
XLogP4.15
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 78899177) is N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is c1ccc(-c2cc(NCc3cc4ccccc4o3)n3ncnc3n2)cc1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KUBYVCWABMOZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-2-6-14(7-3-1)17-11-19(25-20(24-17)22-13-23-25)21-12-16-10-15-8-4-5-9-18(15)26-16/h1-11,13,21H,12H2.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 341.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 78899177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).