N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide

C11H18N4O — CID 106549887

IUPACN-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide
SMILESCc1cnnc(NCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C11H18N4O/c1-8-5-9(15-13-6-8)12-7-10(16)14-11(2,3)4/h5-6H,7H2,1-4H3,(H,12,15)(H,14,16)
InChIKeyVJKCWPCGHFSGJF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.11
Rot. Bonds3

About N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide

N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide (PubChem CID 106549887) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide
PubChem CID106549887
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide
SMILESCc1cnnc(NCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C11H18N4O/c1-8-5-9(15-13-6-8)12-7-10(16)14-11(2,3)4/h5-6H,7H2,1-4H3,(H,12,15)(H,14,16)
InChIKeyVJKCWPCGHFSGJF-UHFFFAOYSA-N
XLogP1.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide
CID 78954650
N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide
CID 106549525
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 105367068
N-tert-butyl-2-[(6-hydrazinylpyrazin-2-yl)amino]acetamide
CID 115357509
N-tert-butyl-2-(2,4,6-trimethylanilino)acetamide
CID 54812139
2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol
CID 106172005
N-tert-butyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83268004
6-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridazine-3-carboxylic acid
CID 115356492
N-tert-butyl-2-[(5-chloro-2-pyridinyl)amino]acetamide
CID 79035029
N-tert-butyl-2-(phthalazin-1-ylamino)acetamide
CID 78911728
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide
CID 113293339
2-[(5-amino-6-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 115356046

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide (CID 106549887) is N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide is Cc1cnnc(NCC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide?
The InChIKey is VJKCWPCGHFSGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-5-9(15-13-6-8)12-7-10(16)14-11(2,3)4/h5-6H,7H2,1-4H3,(H,12,15)(H,14,16).
What are the key properties of N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide?
N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide is sourced from PubChem (CID 106549887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).