3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine

C17H21N7O — CID 645924

IUPAC3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESc1ccc(Cn2nnc3c(NCCN4CCOCC4)ncnc32)cc1
InChIInChI=1S/C17H21N7O/c1-2-4-14(5-3-1)12-24-17-15(21-22-24)16(19-13-20-17)18-6-7-23-8-10-25-11-9-23/h1-5,13H,6-12H2,(H,18,19,20)
InChIKeySVTLFNUHRVJTSE-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.01
Rot. Bonds6

About 3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine

3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 645924) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID645924
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESc1ccc(Cn2nnc3c(NCCN4CCOCC4)ncnc32)cc1
InChIInChI=1S/C17H21N7O/c1-2-4-14(5-3-1)12-24-17-15(21-22-24)16(19-13-20-17)18-6-7-23-8-10-25-11-9-23/h1-5,13H,6-12H2,(H,18,19,20)
InChIKeySVTLFNUHRVJTSE-UHFFFAOYSA-N
XLogP1.01
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 645924) is 3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine is c1ccc(Cn2nnc3c(NCCN4CCOCC4)ncnc32)cc1.
What is the InChIKey of 3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is SVTLFNUHRVJTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-2-4-14(5-3-1)12-24-17-15(21-22-24)16(19-13-20-17)18-6-7-23-8-10-25-11-9-23/h1-5,13H,6-12H2,(H,18,19,20).
What are the key properties of 3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine?
3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 339.40 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 645924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).