7-pentyl-[1,2,4]triazolo[3,4-f]purine

C11H14N6 — CID 118709430

IUPAC7-pentyl-[1,2,4]triazolo[3,4-f]purine
SMILESCCCCCn1cnc2c1ncn1cnnc21
InChIInChI=1S/C11H14N6/c1-2-3-4-5-16-6-12-9-10(16)13-7-17-8-14-15-11(9)17/h6-8H,2-5H2,1H3
InChIKeyHIEFOPROAJSFMU-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.66
Rot. Bonds4

About 7-pentyl-[1,2,4]triazolo[3,4-f]purine

7-pentyl-[1,2,4]triazolo[3,4-f]purine (PubChem CID 118709430) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 7-pentyl-[1,2,4]triazolo[3,4-f]purine.

Molecular Properties

Compound Name7-pentyl-[1,2,4]triazolo[3,4-f]purine
PubChem CID118709430
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name7-pentyl-[1,2,4]triazolo[3,4-f]purine
SMILESCCCCCn1cnc2c1ncn1cnnc21
InChIInChI=1S/C11H14N6/c1-2-3-4-5-16-6-12-9-10(16)13-7-17-8-14-15-11(9)17/h6-8H,2-5H2,1H3
InChIKeyHIEFOPROAJSFMU-UHFFFAOYSA-N
XLogP1.66
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ST-1535
CID 9860294
9-Cyclopentyladenine
CID 12852
9-Butyl-9H-purin-6-amine
CID 75929
9-Methyl-2-pentyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9814428
5-Butyl-8-methyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135512719
3-methyl-7-piperidin-1-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 7424081
4-Methyl-1-{3-methyl-3H-[1,2,3]triazolo[4,5-D]pyrimidin-7-YL}piperidine
CID 7424084
n,3-Diethyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 237113
9-Hexyl-6-(1,2,4-triazol-1-yl)purine
CID 118709411
9-Heptyl-6-(1,2,4-triazol-1-yl)purine
CID 118709412
9-Octyl-6-(1,2,4-triazol-1-yl)purine
CID 118709413
9-Decyl-6-(1,2,4-triazol-1-yl)purine
CID 118709414

Frequently Asked Questions

What is the IUPAC name of 7-pentyl-[1,2,4]triazolo[3,4-f]purine?
The IUPAC name of 7-pentyl-[1,2,4]triazolo[3,4-f]purine (CID 118709430) is 7-pentyl-[1,2,4]triazolo[3,4-f]purine.
What is the SMILES notation for 7-pentyl-[1,2,4]triazolo[3,4-f]purine?
The canonical SMILES for 7-pentyl-[1,2,4]triazolo[3,4-f]purine is CCCCCn1cnc2c1ncn1cnnc21.
What is the InChIKey of 7-pentyl-[1,2,4]triazolo[3,4-f]purine?
The InChIKey is HIEFOPROAJSFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-2-3-4-5-16-6-12-9-10(16)13-7-17-8-14-15-11(9)17/h6-8H,2-5H2,1H3.
What are the key properties of 7-pentyl-[1,2,4]triazolo[3,4-f]purine?
7-pentyl-[1,2,4]triazolo[3,4-f]purine has a molecular weight of 230.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentyl-[1,2,4]triazolo[3,4-f]purine is sourced from PubChem (CID 118709430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).