9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine

C11H14N8 — CID 11673316

IUPAC9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine
SMILESCC(C)c1nc(N)c2nc(-n3nccn3)n(C)c2n1
InChIInChI=1S/C11H14N8/c1-6(2)9-16-8(12)7-10(17-9)18(3)11(15-7)19-13-4-5-14-19/h4-6H,1-3H3,(H2,12,16,17)
InChIKeyQUIVSYGCFQQDKE-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.65
Rot. Bonds2

About 9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine

9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine (PubChem CID 11673316) has the molecular formula C11H14N8 and a molecular weight of 258.29 g/mol. Its IUPAC name is 9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine.

Molecular Properties

Compound Name9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine
PubChem CID11673316
Molecular FormulaC11H14N8
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine
SMILESCC(C)c1nc(N)c2nc(-n3nccn3)n(C)c2n1
InChIInChI=1S/C11H14N8/c1-6(2)9-16-8(12)7-10(17-9)18(3)11(15-7)19-13-4-5-14-19/h4-6H,1-3H3,(H2,12,16,17)
InChIKeyQUIVSYGCFQQDKE-UHFFFAOYSA-N
XLogP0.65
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine?
The IUPAC name of 9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine (CID 11673316) is 9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine.
What is the SMILES notation for 9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine?
The canonical SMILES for 9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine is CC(C)c1nc(N)c2nc(-n3nccn3)n(C)c2n1.
What is the InChIKey of 9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine?
The InChIKey is QUIVSYGCFQQDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8/c1-6(2)9-16-8(12)7-10(17-9)18(3)11(15-7)19-13-4-5-14-19/h4-6H,1-3H3,(H2,12,16,17).
What are the key properties of 9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine?
9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine has a molecular weight of 258.29 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-propan-2-yl-8-(triazol-2-yl)purin-6-amine is sourced from PubChem (CID 11673316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).