3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine

C12H15N7 — CID 136672030

IUPAC3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine
SMILESCC1CC(c2nnc3c4[nH]cnc4ncn23)CCN1
InChIInChI=1S/C12H15N7/c1-7-4-8(2-3-13-7)11-17-18-12-9-10(15-5-14-9)16-6-19(11)12/h5-8,13H,2-4H2,1H3,(H,14,15)
InChIKeyRHOQSFIOULKLBF-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.86
Rot. Bonds1

About 3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine

3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine (PubChem CID 136672030) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine.

Molecular Properties

Compound Name3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine
PubChem CID136672030
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine
SMILESCC1CC(c2nnc3c4[nH]cnc4ncn23)CCN1
InChIInChI=1S/C12H15N7/c1-7-4-8(2-3-13-7)11-17-18-12-9-10(15-5-14-9)16-6-19(11)12/h5-8,13H,2-4H2,1H3,(H,14,15)
InChIKeyRHOQSFIOULKLBF-UHFFFAOYSA-N
XLogP0.86
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine?
The IUPAC name of 3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine (CID 136672030) is 3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine.
What is the SMILES notation for 3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine?
The canonical SMILES for 3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine is CC1CC(c2nnc3c4[nH]cnc4ncn23)CCN1.
What is the InChIKey of 3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine?
The InChIKey is RHOQSFIOULKLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-7-4-8(2-3-13-7)11-17-18-12-9-10(15-5-14-9)16-6-19(11)12/h5-8,13H,2-4H2,1H3,(H,14,15).
What are the key properties of 3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine?
3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine has a molecular weight of 257.30 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-4-yl)-9H-[1,2,4]triazolo[3,4-f]purine is sourced from PubChem (CID 136672030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).