2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide

C11H18N4O — CID 106834522

IUPAC2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
SMILESCC(C)(C)NCC(=O)NCc1cccnn1
InChIInChI=1S/C11H18N4O/c1-11(2,3)13-8-10(16)12-7-9-5-4-6-14-15-9/h4-6,13H,7-8H2,1-3H3,(H,12,16)
InChIKeyRHVHCXYNSRVCPW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.48
Rot. Bonds4

About 2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide

2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide (PubChem CID 106834522) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
PubChem CID106834522
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
SMILESCC(C)(C)NCC(=O)NCc1cccnn1
InChIInChI=1S/C11H18N4O/c1-11(2,3)13-8-10(16)12-7-9-5-4-6-14-15-9/h4-6,13H,7-8H2,1-3H3,(H,12,16)
InChIKeyRHVHCXYNSRVCPW-UHFFFAOYSA-N
XLogP0.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183
2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896058
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide
CID 106896146
2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896069
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)propanamide
CID 106895482
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896008
2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 78942030
2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896139
2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106897218
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)-3-sulfanylidenepropanamide
CID 106896266
4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide
CID 106896004

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide (CID 106834522) is 2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide is CC(C)(C)NCC(=O)NCc1cccnn1.
What is the InChIKey of 2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide?
The InChIKey is RHVHCXYNSRVCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2,3)13-8-10(16)12-7-9-5-4-6-14-15-9/h4-6,13H,7-8H2,1-3H3,(H,12,16).
What are the key properties of 2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide?
2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide is sourced from PubChem (CID 106834522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).