tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate

C13H21N5O3 — CID 115669050

IUPACtert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate
SMILESCNC(=O)c1ccc(NCCNC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C13H21N5O3/c1-13(2,3)21-12(20)16-8-7-15-10-6-5-9(17-18-10)11(19)14-4/h5-6H,7-8H2,1-4H3,(H,14,19)(H,15,18)(H,16,20)
InChIKeyNSZDQUJKWMYTFD-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.77
Rot. Bonds5

About tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate

tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate (PubChem CID 115669050) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate
PubChem CID115669050
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Nametert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate
SMILESCNC(=O)c1ccc(NCCNC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C13H21N5O3/c1-13(2,3)21-12(20)16-8-7-15-10-6-5-9(17-18-10)11(19)14-4/h5-6H,7-8H2,1-4H3,(H,14,19)(H,15,18)(H,16,20)
InChIKeyNSZDQUJKWMYTFD-UHFFFAOYSA-N
XLogP0.77
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 115669069
6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000
tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
CID 115657296
N-methyl-6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-3-carboxamide
CID 79207474
6-(2-cyclobutylethylamino)-N-methylpyridazine-3-carboxamide
CID 115689939
6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013
6-[2-[ethyl(methyl)amino]ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207290
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 79207468
6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide
CID 104623971
N-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridazine-3-carboxamide
CID 103718413
tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate
CID 47453715

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate (CID 115669050) is tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate is CNC(=O)c1ccc(NCCNC(=O)OC(C)(C)C)nn1.
What is the InChIKey of tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate?
The InChIKey is NSZDQUJKWMYTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-13(2,3)21-12(20)16-8-7-15-10-6-5-9(17-18-10)11(19)14-4/h5-6H,7-8H2,1-4H3,(H,14,19)(H,15,18)(H,16,20).
What are the key properties of tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate?
tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate has a molecular weight of 295.34 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate is sourced from PubChem (CID 115669050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).