methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate

C12H11N3O3 — CID 108747797

IUPACmethyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C12H11N3O3/c1-18-12(17)13-9-4-2-3-8(7-9)10-5-6-11(16)15-14-10/h2-7H,1H3,(H,13,17)(H,15,16)
InChIKeySRABSJJFBHPXOU-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.62
Rot. Bonds2

About methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate

methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate (PubChem CID 108747797) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
PubChem CID108747797
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Namemethyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C12H11N3O3/c1-18-12(17)13-9-4-2-3-8(7-9)10-5-6-11(16)15-14-10/h2-7H,1H3,(H,13,17)(H,15,16)
InChIKeySRABSJJFBHPXOU-UHFFFAOYSA-N
XLogP1.62
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide
CID 95303598
2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 47086774
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
CID 49033446
4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide
CID 49035162
3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035357
tert-butyl N-[4-methylsulfanyl-1-oxo-1-[3-(6-oxo-1H-pyridazin-3-yl)anilino]butan-2-yl]carbamate
CID 49034156
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108811605
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 49035377
3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034784
2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035341
2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 49035248

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
The IUPAC name of methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate (CID 108747797) is methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate is COC(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1.
What is the InChIKey of methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
The InChIKey is SRABSJJFBHPXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-18-12(17)13-9-4-2-3-8(7-9)10-5-6-11(16)15-14-10/h2-7H,1H3,(H,13,17)(H,15,16).
What are the key properties of methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate has a molecular weight of 245.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate is sourced from PubChem (CID 108747797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).