3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide

C13H22N6O — CID 79305021

IUPAC3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide
SMILESCCCc1nn(C)c2c1nc(N)n2CCC(=O)N(C)C
InChIInChI=1S/C13H22N6O/c1-5-6-9-11-12(18(4)16-9)19(13(14)15-11)8-7-10(20)17(2)3/h5-8H2,1-4H3,(H2,14,15)
InChIKeyBYJMTTUQKFOUET-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.78
Rot. Bonds5

About 3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide

3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide (PubChem CID 79305021) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide
PubChem CID79305021
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide
SMILESCCCc1nn(C)c2c1nc(N)n2CCC(=O)N(C)C
InChIInChI=1S/C13H22N6O/c1-5-6-9-11-12(18(4)16-9)19(13(14)15-11)8-7-10(20)17(2)3/h5-8H2,1-4H3,(H2,14,15)
InChIKeyBYJMTTUQKFOUET-UHFFFAOYSA-N
XLogP0.78
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide (CID 79305021) is 3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide is CCCc1nn(C)c2c1nc(N)n2CCC(=O)N(C)C.
What is the InChIKey of 3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide?
The InChIKey is BYJMTTUQKFOUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-5-6-9-11-12(18(4)16-9)19(13(14)15-11)8-7-10(20)17(2)3/h5-8H2,1-4H3,(H2,14,15).
What are the key properties of 3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide?
3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide has a molecular weight of 278.36 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 79305021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).