2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate

C10H15N5O3 — CID 83203413

IUPAC2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate
SMILESCN(C)C(=O)c1ccc(NCCOC(N)=O)nn1
InChIInChI=1S/C10H15N5O3/c1-15(2)9(16)7-3-4-8(14-13-7)12-5-6-18-10(11)17/h3-4H,5-6H2,1-2H3,(H2,11,17)(H,12,14)
InChIKeyZBXPRNRECAXTQM-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.31
Rot. Bonds5

About 2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate

2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate (PubChem CID 83203413) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate
PubChem CID83203413
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate
SMILESCN(C)C(=O)c1ccc(NCCOC(N)=O)nn1
InChIInChI=1S/C10H15N5O3/c1-15(2)9(16)7-3-4-8(14-13-7)12-5-6-18-10(11)17/h3-4H,5-6H2,1-2H3,(H2,11,17)(H,12,14)
InChIKeyZBXPRNRECAXTQM-UHFFFAOYSA-N
XLogP-0.31
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(carbamoylamino)ethylamino]-N,N-dimethylpyridazine-3-carboxamide
CID 83114171
6-hydrazinyl-N,N-dimethylpyridazine-3-carboxamide
CID 62236767
N,N-dimethyl-6-(3-methylpentan-3-ylamino)pyridazine-3-carboxamide
CID 106329496
6-(2-methoxyethylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 109113786
6-[(2-amino-4,4-dimethylpentyl)amino]-N,N-dimethylpyridazine-3-carboxamide
CID 107159223
N,N-dimethyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide
CID 106418721
N-(2-methoxyethyl)-N-methyl-6-(propylamino)pyridazine-3-carboxamide
CID 62177414
N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62169151
N,N-dimethyl-6-(2-pyrrolidin-2-ylethylamino)pyridazine-3-carboxamide
CID 114794623
N,N-bis(2-methoxyethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62176695
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
N,N-dimethyl-6-[(2-methylcyclopentyl)methylamino]pyridazine-3-carboxamide
CID 107419298

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate?
The IUPAC name of 2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate (CID 83203413) is 2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate?
The canonical SMILES for 2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate is CN(C)C(=O)c1ccc(NCCOC(N)=O)nn1.
What is the InChIKey of 2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate?
The InChIKey is ZBXPRNRECAXTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-15(2)9(16)7-3-4-8(14-13-7)12-5-6-18-10(11)17/h3-4H,5-6H2,1-2H3,(H2,11,17)(H,12,14).
What are the key properties of 2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate?
2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate has a molecular weight of 253.26 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]ethyl carbamate is sourced from PubChem (CID 83203413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).