tert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate

C9H11Cl2N3O2 — CID 56923827

IUPACtert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)nnc1Cl
InChIInChI=1S/C9H11Cl2N3O2/c1-9(2,3)16-8(15)12-5-4-6(10)13-14-7(5)11/h4H,1-3H3,(H,12,13,15)
InChIKeyJHEQJSIBSDCKQW-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.13
Rot. Bonds1

About tert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate

tert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate (PubChem CID 56923827) has the molecular formula C9H11Cl2N3O2 and a molecular weight of 264.11 g/mol. Its IUPAC name is tert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate
PubChem CID56923827
Molecular FormulaC9H11Cl2N3O2
Molecular Weight264.11 g/mol
Exact Mass263.02
IUPAC Nametert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)nnc1Cl
InChIInChI=1S/C9H11Cl2N3O2/c1-9(2,3)16-8(15)12-5-4-6(10)13-14-7(5)11/h4H,1-3H3,(H,12,13,15)
InChIKeyJHEQJSIBSDCKQW-UHFFFAOYSA-N
XLogP3.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,6-Dichloro-pyridazin-4-yl)-(2-methyl-allyl)-carbamic acid tert-butyl ester
CID 86724012
N-tert-butyl-3,6-dichloropyridazin-4-amine
CID 6414699
tert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate
CID 44630700
Tert-butyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate
CID 59542894
4-(3,6-Dichloro-pyridazin-4-ylamino)-piperidine-1-carboxylic acid tert-butyl ester
CID 86718542
N-(3,6-dichloropyridazin-4-yl)acetamide
CID 87395792
tert-butyl N-(6-chloropyridazin-4-yl)carbamate
CID 89288193
Tert-butyl (2-((3,6-dichloropyridazin-4-yl)amino)ethyl)carbamate
CID 114518195
tert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate
CID 123449999
N-(3,6-Dichloro-4-pyridazinyl)pivalamide
CID 124193469
Tert-butyl 4-[(3,6-dichloropyridazin-4-yl)amino]piperidine-1-carboxylate;ethane
CID 144627218
Tert-butyl 4-[[(3,6-dichloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 155594981

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate (CID 56923827) is tert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate is CC(C)(C)OC(=O)Nc1cc(Cl)nnc1Cl.
What is the InChIKey of tert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate?
The InChIKey is JHEQJSIBSDCKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O2/c1-9(2,3)16-8(15)12-5-4-6(10)13-14-7(5)11/h4H,1-3H3,(H,12,13,15).
What are the key properties of tert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate?
tert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate has a molecular weight of 264.11 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate is sourced from PubChem (CID 56923827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).