2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide

C10H16N6O — CID 79297000

IUPAC2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(N)nc2c(C)nn(C)c21
InChIInChI=1S/C10H16N6O/c1-5-7-9(15(4)14-5)16(10(11)13-7)6(2)8(17)12-3/h6H,1-4H3,(H2,11,13)(H,12,17)
InChIKeyQBQHKFIICNSROE-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.03
Rot. Bonds2

About 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide

2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide (PubChem CID 79297000) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide
PubChem CID79297000
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(N)nc2c(C)nn(C)c21
InChIInChI=1S/C10H16N6O/c1-5-7-9(15(4)14-5)16(10(11)13-7)6(2)8(17)12-3/h6H,1-4H3,(H2,11,13)(H,12,17)
InChIKeyQBQHKFIICNSROE-UHFFFAOYSA-N
XLogP-0.03
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide?
The IUPAC name of 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide (CID 79297000) is 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide.
What is the SMILES notation for 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide?
The canonical SMILES for 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide is CNC(=O)C(C)n1c(N)nc2c(C)nn(C)c21.
What is the InChIKey of 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide?
The InChIKey is QBQHKFIICNSROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-5-7-9(15(4)14-5)16(10(11)13-7)6(2)8(17)12-3/h6H,1-4H3,(H2,11,13)(H,12,17).
What are the key properties of 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide?
2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide has a molecular weight of 236.28 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N-methylpropanamide is sourced from PubChem (CID 79297000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).