7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine

C13H9ClN6 — CID 118709402

IUPAC7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine
SMILESClc1ccccc1Cn1cnc2c1ncn1cnnc21
InChIInChI=1S/C13H9ClN6/c14-10-4-2-1-3-9(10)5-19-6-15-11-12(19)16-7-20-8-17-18-13(11)20/h1-4,6-8H,5H2
InChIKeyDWRIQOVVGRPEKV-UHFFFAOYSA-N
MW284.71 g/mol
LogP2.18
Rot. Bonds2

About 7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine

7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine (PubChem CID 118709402) has the molecular formula C13H9ClN6 and a molecular weight of 284.71 g/mol. Its IUPAC name is 7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine.

Molecular Properties

Compound Name7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine
PubChem CID118709402
Molecular FormulaC13H9ClN6
Molecular Weight284.71 g/mol
Exact Mass284.06
IUPAC Name7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine
SMILESClc1ccccc1Cn1cnc2c1ncn1cnnc21
InChIInChI=1S/C13H9ClN6/c14-10-4-2-1-3-9(10)5-19-6-15-11-12(19)16-7-20-8-17-18-13(11)20/h1-4,6-8H,5H2
InChIKeyDWRIQOVVGRPEKV-UHFFFAOYSA-N
XLogP2.18
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine?
The IUPAC name of 7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine (CID 118709402) is 7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine.
What is the SMILES notation for 7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine?
The canonical SMILES for 7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine is Clc1ccccc1Cn1cnc2c1ncn1cnnc21.
What is the InChIKey of 7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine?
The InChIKey is DWRIQOVVGRPEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN6/c14-10-4-2-1-3-9(10)5-19-6-15-11-12(19)16-7-20-8-17-18-13(11)20/h1-4,6-8H,5H2.
What are the key properties of 7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine?
7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine has a molecular weight of 284.71 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-f]purine is sourced from PubChem (CID 118709402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).