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

C16H24N6 — CID 118709401

IUPAC7-decyl-[1,2,4]triazolo[3,4-f]purine
SMILESCCCCCCCCCCn1cnc2c1ncn1cnnc21
InChIInChI=1S/C16H24N6/c1-2-3-4-5-6-7-8-9-10-21-11-17-14-15(21)18-12-22-13-19-20-16(14)22/h11-13H,2-10H2,1H3
InChIKeyMBYWNZYHIVWJBB-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.61
Rot. Bonds9

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

7-decyl-[1,2,4]triazolo[3,4-f]purine (PubChem CID 118709401) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 7-decyl-[1,2,4]triazolo[3,4-f]purine.

Molecular Properties

Compound Name7-decyl-[1,2,4]triazolo[3,4-f]purine
PubChem CID118709401
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name7-decyl-[1,2,4]triazolo[3,4-f]purine
SMILESCCCCCCCCCCn1cnc2c1ncn1cnnc21
InChIInChI=1S/C16H24N6/c1-2-3-4-5-6-7-8-9-10-21-11-17-14-15(21)18-12-22-13-19-20-16(14)22/h11-13H,2-10H2,1H3
InChIKeyMBYWNZYHIVWJBB-UHFFFAOYSA-N
XLogP3.61
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-decyl-[1,2,4]triazolo[3,4-f]purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
9-(1-Azidomethyl-heptyl)-9H-purin-6-ylamine
CID 10334306
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
7-Heptyl-[1,2,4]triazolo[3,4-f]purine
CID 118709427
7-Octyl-[1,2,4]triazolo[3,4-f]purine
CID 118709428
7-Hexyl-[1,2,4]triazolo[3,4-f]purine
CID 118709429
7-Pentyl-[1,2,4]triazolo[3,4-f]purine
CID 118709430

Frequently Asked Questions

What is the IUPAC name of 7-decyl-[1,2,4]triazolo[3,4-f]purine?
The IUPAC name of 7-decyl-[1,2,4]triazolo[3,4-f]purine (CID 118709401) is 7-decyl-[1,2,4]triazolo[3,4-f]purine.
What is the SMILES notation for 7-decyl-[1,2,4]triazolo[3,4-f]purine?
The canonical SMILES for 7-decyl-[1,2,4]triazolo[3,4-f]purine is CCCCCCCCCCn1cnc2c1ncn1cnnc21.
What is the InChIKey of 7-decyl-[1,2,4]triazolo[3,4-f]purine?
The InChIKey is MBYWNZYHIVWJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-2-3-4-5-6-7-8-9-10-21-11-17-14-15(21)18-12-22-13-19-20-16(14)22/h11-13H,2-10H2,1H3.
What are the key properties of 7-decyl-[1,2,4]triazolo[3,4-f]purine?
7-decyl-[1,2,4]triazolo[3,4-f]purine has a molecular weight of 300.41 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-decyl-[1,2,4]triazolo[3,4-f]purine is sourced from PubChem (CID 118709401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).