ethyl N-(6-phenylpyridazin-3-yl)carbamate

C13H13N3O2 — CID 59867445

IUPACethyl N-(6-phenylpyridazin-3-yl)carbamate
SMILESCCOC(=O)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C13H13N3O2/c1-2-18-13(17)14-12-9-8-11(15-16-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,14,16,17)
InChIKeyHEJQOUKLLOCQCZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.71
Rot. Bonds3

About ethyl N-(6-phenylpyridazin-3-yl)carbamate

ethyl N-(6-phenylpyridazin-3-yl)carbamate (PubChem CID 59867445) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is ethyl N-(6-phenylpyridazin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-phenylpyridazin-3-yl)carbamate
PubChem CID59867445
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Nameethyl N-(6-phenylpyridazin-3-yl)carbamate
SMILESCCOC(=O)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C13H13N3O2/c1-2-18-13(17)14-12-9-8-11(15-16-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,14,16,17)
InChIKeyHEJQOUKLLOCQCZ-UHFFFAOYSA-N
XLogP2.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[benzyl(methyl)amino]pyridazin-3-yl]carbamate
CID 113041308
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate
CID 108773574
ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate
CID 113046451
4-methyl-N-(6-phenylpyridazin-3-yl)pyridine-3-carboxamide
CID 167955003
2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide
CID 71920781
2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide
CID 118567309
2-amino-2-phenyl-N-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenoxy]acetamide
CID 6417496
1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea
CID 75452753
ethyl 2-[(6-phenylpyridazin-3-yl)amino]-1,3-benzothiazole-6-carboxylate
CID 108776058

Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-phenylpyridazin-3-yl)carbamate?
The IUPAC name of ethyl N-(6-phenylpyridazin-3-yl)carbamate (CID 59867445) is ethyl N-(6-phenylpyridazin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(6-phenylpyridazin-3-yl)carbamate?
The canonical SMILES for ethyl N-(6-phenylpyridazin-3-yl)carbamate is CCOC(=O)Nc1ccc(-c2ccccc2)nn1.
What is the InChIKey of ethyl N-(6-phenylpyridazin-3-yl)carbamate?
The InChIKey is HEJQOUKLLOCQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-18-13(17)14-12-9-8-11(15-16-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,14,16,17).
What are the key properties of ethyl N-(6-phenylpyridazin-3-yl)carbamate?
ethyl N-(6-phenylpyridazin-3-yl)carbamate has a molecular weight of 243.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-phenylpyridazin-3-yl)carbamate is sourced from PubChem (CID 59867445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).