N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide

C11H15N5O — CID 115356285

IUPACN-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nnccc1C#N
InChIInChI=1S/C11H15N5O/c1-11(2,3)15-9(17)7-13-10-8(6-12)4-5-14-16-10/h4-5H,7H2,1-3H3,(H,13,16)(H,15,17)
InChIKeyVHYPEDOVEKYHDM-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.67
Rot. Bonds3

About N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide

N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide (PubChem CID 115356285) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide
PubChem CID115356285
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nnccc1C#N
InChIInChI=1S/C11H15N5O/c1-11(2,3)15-9(17)7-13-10-8(6-12)4-5-14-16-10/h4-5H,7H2,1-3H3,(H,13,16)(H,15,17)
InChIKeyVHYPEDOVEKYHDM-UHFFFAOYSA-N
XLogP0.67
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide (CID 115356285) is N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide is CC(C)(C)NC(=O)CNc1nnccc1C#N.
What is the InChIKey of N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide?
The InChIKey is VHYPEDOVEKYHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-11(2,3)15-9(17)7-13-10-8(6-12)4-5-14-16-10/h4-5H,7H2,1-3H3,(H,13,16)(H,15,17).
What are the key properties of N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide?
N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide has a molecular weight of 233.27 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide is sourced from PubChem (CID 115356285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).