2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol

C19H18N6O — CID 11416708

IUPAC2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol
SMILESOCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1
InChIInChI=1S/C19H18N6O/c26-12-11-20-18-16-19(22-17(21-18)15-9-5-2-6-10-15)25(24-23-16)13-14-7-3-1-4-8-14/h1-10,26H,11-13H2,(H,20,21,22)
InChIKeySVTYRPMWUMIDRA-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.34
Rot. Bonds6

About 2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol

2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol (PubChem CID 11416708) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol
PubChem CID11416708
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol
SMILESOCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1
InChIInChI=1S/C19H18N6O/c26-12-11-20-18-16-19(22-17(21-18)15-9-5-2-6-10-15)25(24-23-16)13-14-7-3-1-4-8-14/h1-10,26H,11-13H2,(H,20,21,22)
InChIKeySVTYRPMWUMIDRA-UHFFFAOYSA-N
XLogP2.34
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol?
The IUPAC name of 2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol (CID 11416708) is 2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol.
What is the SMILES notation for 2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol?
The canonical SMILES for 2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol is OCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1.
What is the InChIKey of 2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol?
The InChIKey is SVTYRPMWUMIDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c26-12-11-20-18-16-19(22-17(21-18)15-9-5-2-6-10-15)25(24-23-16)13-14-7-3-1-4-8-14/h1-10,26H,11-13H2,(H,20,21,22).
What are the key properties of 2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol?
2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol has a molecular weight of 346.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol is sourced from PubChem (CID 11416708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).