2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide

C14H25N5O2 — CID 103223412

IUPAC2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C14H25N5O2/c1-5-14(2,3)17-12(20)10-19-13(21)8-11(9-16-19)18(4)7-6-15/h8-9H,5-7,10,15H2,1-4H3,(H,17,20)
InChIKeyRRKRARMKDQOTTL-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.06
Rot. Bonds7

About 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide

2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 103223412) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID103223412
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C14H25N5O2/c1-5-14(2,3)17-12(20)10-19-13(21)8-11(9-16-19)18(4)7-6-15/h8-9H,5-7,10,15H2,1-4H3,(H,17,20)
InChIKeyRRKRARMKDQOTTL-UHFFFAOYSA-N
XLogP-0.06
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
2-(Dimethylamino)-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924057
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(1,1-dimethylpropyl)acetamide
CID 72901531
2-(4-amino-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103218361
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103218675
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219116
2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219530
2-[6-oxo-4-(propylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220293
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103221221
2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103221646
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223469

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 103223412) is 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cn1ncc(N(C)CCN)cc1=O.
What is the InChIKey of 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is RRKRARMKDQOTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-5-14(2,3)17-12(20)10-19-13(21)8-11(9-16-19)18(4)7-6-15/h8-9H,5-7,10,15H2,1-4H3,(H,17,20).
What are the key properties of 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 295.39 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 103223412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).