3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide

C13H22N6O — CID 106278600

IUPAC3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide
SMILESCCc1nn(C)c2c1nc(N)n2CC(C)(C)C(=O)NC
InChIInChI=1S/C13H22N6O/c1-6-8-9-10(18(5)17-8)19(12(14)16-9)7-13(2,3)11(20)15-4/h6-7H2,1-5H3,(H2,14,16)(H,15,20)
InChIKeyNKCSBTYCTSHOFO-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.69
Rot. Bonds4

About 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide

3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide (PubChem CID 106278600) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide
PubChem CID106278600
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide
SMILESCCc1nn(C)c2c1nc(N)n2CC(C)(C)C(=O)NC
InChIInChI=1S/C13H22N6O/c1-6-8-9-10(18(5)17-8)19(12(14)16-9)7-13(2,3)11(20)15-4/h6-7H2,1-5H3,(H2,14,16)(H,15,20)
InChIKeyNKCSBTYCTSHOFO-UHFFFAOYSA-N
XLogP0.69
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide (CID 106278600) is 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide is CCc1nn(C)c2c1nc(N)n2CC(C)(C)C(=O)NC.
What is the InChIKey of 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide?
The InChIKey is NKCSBTYCTSHOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-6-8-9-10(18(5)17-8)19(12(14)16-9)7-13(2,3)11(20)15-4/h6-7H2,1-5H3,(H2,14,16)(H,15,20).
What are the key properties of 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide?
3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide has a molecular weight of 278.36 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106278600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).