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

C10H17N5O — CID 106280460

IUPAC3-[(6-aminopyridazin-3-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ccc(N)nn1
InChIInChI=1S/C10H17N5O/c1-10(2,9(16)12-3)6-13-8-5-4-7(11)14-15-8/h4-5H,6H2,1-3H3,(H2,11,14)(H,12,16)(H,13,15)
InChIKeyVXXHAGSKMUGFAC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.24
Rot. Bonds4

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

3-[(6-aminopyridazin-3-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106280460) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[(6-aminopyridazin-3-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(6-aminopyridazin-3-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106280460
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-[(6-aminopyridazin-3-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ccc(N)nn1
InChIInChI=1S/C10H17N5O/c1-10(2,9(16)12-3)6-13-8-5-4-7(11)14-15-8/h4-5H,6H2,1-3H3,(H2,11,14)(H,12,16)(H,13,15)
InChIKeyVXXHAGSKMUGFAC-UHFFFAOYSA-N
XLogP0.24
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide
CID 71878645
2,2-Dimethyl-N-3-pyridazinylpropanamide
CID 21858219
1-(6-Fluoropyridazin-3-yl)azetidine-3-carboxamide
CID 141392253
1-(4-(6-(Ethylamino)pyridazin-3-yl)piperazin-1-yl)-3,3,3-trifluoropropan-1-one
CID 122350867
4-[3-[(6-Fluoropyridazin-3-yl)amino]propyl]piperazin-2-one
CID 167822097
1-[4-[6-(Ethylamino)pyridazin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 174597679
N3,N3-dipropylpyridazine-3,6-diamine
CID 20316796
N-[2-(3-Pyridazinylamino)ethyl]acetamide
CID 22118653
N'-(6-iodopyridazin-3-yl)-N-methylpropane-1,3-diamine
CID 59276943
N-(6-acetamidopyridazin-3-yl)acetamide
CID 59468268
N-[6-(propanoylamino)pyridazin-3-yl]propanamide
CID 69038787
3-N-propylpyridazine-3,6-diamine
CID 69230432

Frequently Asked Questions

What is the IUPAC name of 3-[(6-aminopyridazin-3-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(6-aminopyridazin-3-yl)amino]-N,2,2-trimethylpropanamide (CID 106280460) is 3-[(6-aminopyridazin-3-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(6-aminopyridazin-3-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(6-aminopyridazin-3-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1ccc(N)nn1.
What is the InChIKey of 3-[(6-aminopyridazin-3-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is VXXHAGSKMUGFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-10(2,9(16)12-3)6-13-8-5-4-7(11)14-15-8/h4-5H,6H2,1-3H3,(H2,11,14)(H,12,16)(H,13,15).
What are the key properties of 3-[(6-aminopyridazin-3-yl)amino]-N,2,2-trimethylpropanamide?
3-[(6-aminopyridazin-3-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 223.28 g/mol, XLogP of 0.24, 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]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).