ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate

C15H18N4O2 — CID 113041308

IUPACethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(N(C)Cc2ccccc2)nn1
InChIInChI=1S/C15H18N4O2/c1-3-21-15(20)16-13-9-10-14(18-17-13)19(2)11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,16,17,20)
InChIKeyXMEQUDOHCCWSHG-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.68
Rot. Bonds5

About ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate

ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate (PubChem CID 113041308) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate
PubChem CID113041308
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Nameethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(N(C)Cc2ccccc2)nn1
InChIInChI=1S/C15H18N4O2/c1-3-21-15(20)16-13-9-10-14(18-17-13)19(2)11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,16,17,20)
InChIKeyXMEQUDOHCCWSHG-UHFFFAOYSA-N
XLogP2.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide
CID 113041264
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate
CID 113045640
ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate
CID 113044300
ethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride
CID 21485891
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide
CID 113044450
[6-[benzyl(methyl)amino]pyridazin-3-yl]methanol
CID 61254714
N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide
CID 113041914
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 113041327
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 113041329
6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119015

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate?
The IUPAC name of ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate (CID 113041308) is ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate?
The canonical SMILES for ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate is CCOC(=O)Nc1ccc(N(C)Cc2ccccc2)nn1.
What is the InChIKey of ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate?
The InChIKey is XMEQUDOHCCWSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-21-15(20)16-13-9-10-14(18-17-13)19(2)11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,16,17,20).
What are the key properties of ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate?
ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate has a molecular weight of 286.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate is sourced from PubChem (CID 113041308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).