methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate

C12H10Cl2N4O2 — CID 113050861

IUPACmethyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2cc(Cl)cc(Cl)c2)nn1
InChIInChI=1S/C12H10Cl2N4O2/c1-20-12(19)16-11-3-2-10(17-18-11)15-9-5-7(13)4-8(14)6-9/h2-6H,1H3,(H,15,17)(H,16,18,19)
InChIKeyXQUOUFRSHNVHJY-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.71
Rot. Bonds3

About methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate

methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate (PubChem CID 113050861) has the molecular formula C12H10Cl2N4O2 and a molecular weight of 313.14 g/mol. Its IUPAC name is methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate
PubChem CID113050861
Molecular FormulaC12H10Cl2N4O2
Molecular Weight313.14 g/mol
Exact Mass312.02
IUPAC Namemethyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2cc(Cl)cc(Cl)c2)nn1
InChIInChI=1S/C12H10Cl2N4O2/c1-20-12(19)16-11-3-2-10(17-18-11)15-9-5-7(13)4-8(14)6-9/h2-6H,1H3,(H,15,17)(H,16,18,19)
InChIKeyXQUOUFRSHNVHJY-UHFFFAOYSA-N
XLogP3.71
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3,5-dichloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113050853
methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate
CID 113049175
methyl N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]carbamate
CID 113048068
ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate
CID 113046451
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050851
ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate
CID 113036803
methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate
CID 113049917
methyl N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525385
methyl 4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazin-3-yl]amino]benzoate
CID 113049504
methyl N-(3-chlorophenyl)carbamate
CID 16529
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113047536
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate?
The IUPAC name of methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate (CID 113050861) is methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate.
What is the SMILES notation for methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate?
The canonical SMILES for methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate is COC(=O)Nc1ccc(Nc2cc(Cl)cc(Cl)c2)nn1.
What is the InChIKey of methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate?
The InChIKey is XQUOUFRSHNVHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2/c1-20-12(19)16-11-3-2-10(17-18-11)15-9-5-7(13)4-8(14)6-9/h2-6H,1H3,(H,15,17)(H,16,18,19).
What are the key properties of methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate?
methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate has a molecular weight of 313.14 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(3,5-dichloroanilino)pyridazin-3-yl]carbamate is sourced from PubChem (CID 113050861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).