1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine

C11H15N7O — CID 106406156

IUPAC1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CCc3ncno3)c21
InChIInChI=1S/C11H15N7O/c1-3-18-10-9(7(2)16-18)15-11(12)17(10)5-4-8-13-6-14-19-8/h6H,3-5H2,1-2H3,(H2,12,15)
InChIKeyIXNXDZVDZQZFOJ-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.77
Rot. Bonds4

About 1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine

1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine (PubChem CID 106406156) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
PubChem CID106406156
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CCc3ncno3)c21
InChIInChI=1S/C11H15N7O/c1-3-18-10-9(7(2)16-18)15-11(12)17(10)5-4-8-13-6-14-19-8/h6H,3-5H2,1-2H3,(H2,12,15)
InChIKeyIXNXDZVDZQZFOJ-UHFFFAOYSA-N
XLogP0.77
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-ethyl-3-methyl-6-[2-(1-methylpyrazol-3-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 106105680
6-(2,2-dimethylpropyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305690
4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406197
6-(2-cyclopentylethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305342
1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 113494979
1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79284258
1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79304809
6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305542
1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79305608
4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406173
1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine
CID 113463957
1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305216

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine (CID 106406156) is 1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(CCc3ncno3)c21.
What is the InChIKey of 1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is IXNXDZVDZQZFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-3-18-10-9(7(2)16-18)15-11(12)17(10)5-4-8-13-6-14-19-8/h6H,3-5H2,1-2H3,(H2,12,15).
What are the key properties of 1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 261.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 106406156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).