7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine

C11H10N6 — CID 162659752

IUPAC7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(Cc2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C11H10N6/c12-11-13-8(6-7-4-2-1-3-5-7)9-10(14-11)16-17-15-9/h1-5H,6H2,(H3,12,13,14,15,16,17)
InChIKeyAECBIQFXACFWEM-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.92
Rot. Bonds2

About 7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine

7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 162659752) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine
PubChem CID162659752
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(Cc2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C11H10N6/c12-11-13-8(6-7-4-2-1-3-5-7)9-10(14-11)16-17-15-9/h1-5H,6H2,(H3,12,13,14,15,16,17)
InChIKeyAECBIQFXACFWEM-UHFFFAOYSA-N
XLogP0.92
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine (CID 162659752) is 7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine is Nc1nc(Cc2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is AECBIQFXACFWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-11-13-8(6-7-4-2-1-3-5-7)9-10(14-11)16-17-15-9/h1-5H,6H2,(H3,12,13,14,15,16,17).
What are the key properties of 7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 226.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2H-triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 162659752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).