ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate

C15H18N4O2 — CID 113041120

IUPACethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(C)cc2)nn1
InChIInChI=1S/C15H18N4O2/c1-3-21-15(20)17-14-9-8-13(18-19-14)16-10-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyGRUUPVBBEPHWCC-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.97
Rot. Bonds5

About ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate

ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate (PubChem CID 113041120) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
PubChem CID113041120
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Nameethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(C)cc2)nn1
InChIInChI=1S/C15H18N4O2/c1-3-21-15(20)17-14-9-8-13(18-19-14)16-10-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyGRUUPVBBEPHWCC-UHFFFAOYSA-N
XLogP2.97
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
2-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]propanamide
CID 113041063
ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate
CID 113044300
4-methoxy-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041085
2-(2-methoxyphenoxy)-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041108
3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041075
ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate
CID 113046451
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041019
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113043378
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041016
ethyl 4-[[2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 53073966

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate?
The IUPAC name of ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate (CID 113041120) is ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate?
The canonical SMILES for ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc(C)cc2)nn1.
What is the InChIKey of ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate?
The InChIKey is GRUUPVBBEPHWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-21-15(20)17-14-9-8-13(18-19-14)16-10-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,16,18)(H,17,19,20).
What are the key properties of ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate?
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate has a molecular weight of 286.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate is sourced from PubChem (CID 113041120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).