3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide

C9H15N5O — CID 106280450

IUPAC3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1ccc(N)nn1)C(N)=O
InChIInChI=1S/C9H15N5O/c1-9(2,8(11)15)5-12-7-4-3-6(10)13-14-7/h3-4H,5H2,1-2H3,(H2,10,13)(H2,11,15)(H,12,14)
InChIKeyOUKBDCDTYMBFJS-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.02
Rot. Bonds4

About 3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide

3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide (PubChem CID 106280450) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide
PubChem CID106280450
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1ccc(N)nn1)C(N)=O
InChIInChI=1S/C9H15N5O/c1-9(2,8(11)15)5-12-7-4-3-6(10)13-14-7/h3-4H,5H2,1-2H3,(H2,10,13)(H2,11,15)(H,12,14)
InChIKeyOUKBDCDTYMBFJS-UHFFFAOYSA-N
XLogP-0.02
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide (CID 106280450) is 3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNc1ccc(N)nn1)C(N)=O.
What is the InChIKey of 3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is OUKBDCDTYMBFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-9(2,8(11)15)5-12-7-4-3-6(10)13-14-7/h3-4H,5H2,1-2H3,(H2,10,13)(H2,11,15)(H,12,14).
What are the key properties of 3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide?
3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 209.25 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-aminopyridazin-3-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106280450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).