5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine

C14H15N9 — CID 130251411

IUPAC5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine
SMILESCC(C)c1ncc2[nH]c(C(C)c3cnc4n[nH]nc4n3)nc2n1
InChIInChI=1S/C14H15N9/c1-6(2)10-15-5-9-12(19-10)20-11(18-9)7(3)8-4-16-13-14(17-8)22-23-21-13/h4-7H,1-3H3,(H,15,18,19,20)(H,16,17,21,22,23)
InChIKeyAZWHVMHGJHDXCG-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.69
Rot. Bonds3

About 5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine

5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine (PubChem CID 130251411) has the molecular formula C14H15N9 and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine
PubChem CID130251411
Molecular FormulaC14H15N9
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Name5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine
SMILESCC(C)c1ncc2[nH]c(C(C)c3cnc4n[nH]nc4n3)nc2n1
InChIInChI=1S/C14H15N9/c1-6(2)10-15-5-9-12(19-10)20-11(18-9)7(3)8-4-16-13-14(17-8)22-23-21-13/h4-7H,1-3H3,(H,15,18,19,20)(H,16,17,21,22,23)
InChIKeyAZWHVMHGJHDXCG-UHFFFAOYSA-N
XLogP1.69
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine?
The IUPAC name of 5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine (CID 130251411) is 5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine.
What is the SMILES notation for 5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine?
The canonical SMILES for 5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine is CC(C)c1ncc2[nH]c(C(C)c3cnc4n[nH]nc4n3)nc2n1.
What is the InChIKey of 5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine?
The InChIKey is AZWHVMHGJHDXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N9/c1-6(2)10-15-5-9-12(19-10)20-11(18-9)7(3)8-4-16-13-14(17-8)22-23-21-13/h4-7H,1-3H3,(H,15,18,19,20)(H,16,17,21,22,23).
What are the key properties of 5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine?
5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine has a molecular weight of 309.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-propan-2-yl-7H-purin-8-yl)ethyl]-2H-triazolo[4,5-b]pyrazine is sourced from PubChem (CID 130251411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).