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

C11H10N6O — CID 6418797

IUPAC7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(OCc2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C11H10N6O/c12-11-13-9-8(15-17-16-9)10(14-11)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16,17)
InChIKeyZHTBAYPUCDCQPX-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.91
Rot. Bonds3

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

7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 6418797) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine
PubChem CID6418797
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(OCc2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C11H10N6O/c12-11-13-9-8(15-17-16-9)10(14-11)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16,17)
InChIKeyZHTBAYPUCDCQPX-UHFFFAOYSA-N
XLogP0.91
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine (CID 6418797) is 7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine is Nc1nc(OCc2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is ZHTBAYPUCDCQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c12-11-13-9-8(15-17-16-9)10(14-11)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16,17).
What are the key properties of 7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine?
7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 242.24 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxy-2H-triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 6418797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).