6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C11H14N8O — CID 106412206

IUPAC6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCNc1nc(NCCc2ncon2)c2cn[nH]c2n1
InChIInChI=1S/C11H14N8O/c1-2-12-11-16-9(7-5-15-18-10(7)17-11)13-4-3-8-14-6-20-19-8/h5-6H,2-4H2,1H3,(H3,12,13,15,16,17,18)
InChIKeyDBOXGEQBUKRBEX-UHFFFAOYSA-N
MW274.29 g/mol
LogP0.82
Rot. Bonds6

About 6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 106412206) has the molecular formula C11H14N8O and a molecular weight of 274.29 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID106412206
Molecular FormulaC11H14N8O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCNc1nc(NCCc2ncon2)c2cn[nH]c2n1
InChIInChI=1S/C11H14N8O/c1-2-12-11-16-9(7-5-15-18-10(7)17-11)13-4-3-8-14-6-20-19-8/h5-6H,2-4H2,1H3,(H3,12,13,15,16,17,18)
InChIKeyDBOXGEQBUKRBEX-UHFFFAOYSA-N
XLogP0.82
TPSA117.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 106412206) is 6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CCNc1nc(NCCc2ncon2)c2cn[nH]c2n1.
What is the InChIKey of 6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is DBOXGEQBUKRBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8O/c1-2-12-11-16-9(7-5-15-18-10(7)17-11)13-4-3-8-14-6-20-19-8/h5-6H,2-4H2,1H3,(H3,12,13,15,16,17,18).
What are the key properties of 6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 274.29 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 106412206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).