7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C20H21N5O — CID 118471720

IUPAC7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C2CCCN(Cc3cc4ccccc4o3)C2)n2ncnc2n1
InChIInChI=1S/C20H21N5O/c1-14-9-18(25-20(23-14)21-13-22-25)16-6-4-8-24(11-16)12-17-10-15-5-2-3-7-19(15)26-17/h2-3,5,7,9-10,13,16H,4,6,8,11-12H2,1H3
InChIKeyXNXDUZIZXOAHDH-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.56
Rot. Bonds3

About 7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 118471720) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID118471720
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C2CCCN(Cc3cc4ccccc4o3)C2)n2ncnc2n1
InChIInChI=1S/C20H21N5O/c1-14-9-18(25-20(23-14)21-13-22-25)16-6-4-8-24(11-16)12-17-10-15-5-2-3-7-19(15)26-17/h2-3,5,7,9-10,13,16H,4,6,8,11-12H2,1H3
InChIKeyXNXDUZIZXOAHDH-UHFFFAOYSA-N
XLogP3.56
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 118471720) is 7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C2CCCN(Cc3cc4ccccc4o3)C2)n2ncnc2n1.
What is the InChIKey of 7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XNXDUZIZXOAHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-9-18(25-20(23-14)21-13-22-25)16-6-4-8-24(11-16)12-17-10-15-5-2-3-7-19(15)26-17/h2-3,5,7,9-10,13,16H,4,6,8,11-12H2,1H3.
What are the key properties of 7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 347.42 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118471720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).