ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate

C14H16N4O2 — CID 113045640

IUPACethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccccc2C)nn1
InChIInChI=1S/C14H16N4O2/c1-3-20-14(19)16-13-9-8-12(17-18-13)15-11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyGOPIBHBOSFJYLL-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.10
Rot. Bonds4

About ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate

ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate (PubChem CID 113045640) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate
PubChem CID113045640
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Nameethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ccccc2C)nn1
InChIInChI=1S/C14H16N4O2/c1-3-20-14(19)16-13-9-8-12(17-18-13)15-11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyGOPIBHBOSFJYLL-UHFFFAOYSA-N
XLogP3.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-methylanilino)pyridazin-3-yl]propanamide
CID 113045581
N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045593
ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123868
ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate
CID 113050137
ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate
CID 113046451
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate
CID 113044300
4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045599
3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045604
ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate
CID 113041308
ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113051053
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate?
The IUPAC name of ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate (CID 113045640) is ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate?
The canonical SMILES for ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate is CCOC(=O)Nc1ccc(Nc2ccccc2C)nn1.
What is the InChIKey of ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate?
The InChIKey is GOPIBHBOSFJYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-20-14(19)16-13-9-8-12(17-18-13)15-11-7-5-4-6-10(11)2/h4-9H,3H2,1-2H3,(H,15,17)(H,16,18,19).
What are the key properties of ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate?
ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate has a molecular weight of 272.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate is sourced from PubChem (CID 113045640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).