[4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine

C12H10N8 — CID 136966172

IUPAC[4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nnc3c4[nH]cnc4ncn23)ccn1
InChIInChI=1S/C12H10N8/c13-4-8-3-7(1-2-14-8)11-18-19-12-9-10(16-5-15-9)17-6-20(11)12/h1-3,5-6H,4,13H2,(H,15,16)
InChIKeyAUCOTFIBILVBMI-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.52
Rot. Bonds2

About [4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine

[4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine (PubChem CID 136966172) has the molecular formula C12H10N8 and a molecular weight of 266.27 g/mol. Its IUPAC name is [4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine
PubChem CID136966172
Molecular FormulaC12H10N8
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name[4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nnc3c4[nH]cnc4ncn23)ccn1
InChIInChI=1S/C12H10N8/c13-4-8-3-7(1-2-14-8)11-18-19-12-9-10(16-5-15-9)17-6-20(11)12/h1-3,5-6H,4,13H2,(H,15,16)
InChIKeyAUCOTFIBILVBMI-UHFFFAOYSA-N
XLogP0.52
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine (CID 136966172) is [4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine is NCc1cc(-c2nnc3c4[nH]cnc4ncn23)ccn1.
What is the InChIKey of [4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine?
The InChIKey is AUCOTFIBILVBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N8/c13-4-8-3-7(1-2-14-8)11-18-19-12-9-10(16-5-15-9)17-6-20(11)12/h1-3,5-6H,4,13H2,(H,15,16).
What are the key properties of [4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine?
[4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine has a molecular weight of 266.27 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9H-[1,2,4]triazolo[3,4-f]purin-3-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 136966172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).