1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine

C13H24N6O — CID 79305216

IUPAC1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CCN(C)CCOC)c21
InChIInChI=1S/C13H24N6O/c1-5-19-12-11(10(2)16-19)15-13(14)18(12)7-6-17(3)8-9-20-4/h5-9H2,1-4H3,(H2,14,15)
InChIKeyJBOOKCQKDOKTNJ-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.72
Rot. Bonds7

About 1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine

1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79305216) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79305216
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CCN(C)CCOC)c21
InChIInChI=1S/C13H24N6O/c1-5-19-12-11(10(2)16-19)15-13(14)18(12)7-6-17(3)8-9-20-4/h5-9H2,1-4H3,(H2,14,15)
InChIKeyJBOOKCQKDOKTNJ-UHFFFAOYSA-N
XLogP0.72
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(5-amino-1-ethyl-3-methylimidazo[4,5-d]pyrazol-6-yl)ethyl]-1,1-dimethylurea
CID 83114638
6-(2,2-dimethylpropyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305690
1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 113494979
6-(2-cyclopentylethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305342
1-ethyl-6-(4-imidazol-1-ylbutyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79284258
1-ethyl-3-methyl-6-[2-(1-methylpyrazol-3-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 106105680
1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine
CID 113463957
1-ethyl-6-(1-methoxypentan-2-yl)-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305554
1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 106406156
5-(2-chloroethyl)-1-ethyl-6-(3-methoxypropyl)-3-methylimidazo[4,5-d]pyrazole
CID 79307117
6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305542
6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79284544

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 79305216) is 1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(CCN(C)CCOC)c21.
What is the InChIKey of 1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is JBOOKCQKDOKTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-5-19-12-11(10(2)16-19)15-13(14)18(12)7-6-17(3)8-9-20-4/h5-9H2,1-4H3,(H2,14,15).
What are the key properties of 1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine?
1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 280.38 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79305216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).