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

C10H13Cl2N3O2 — CID 44630700

IUPACtert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Cl)nnc1Cl
InChIInChI=1S/C10H13Cl2N3O2/c1-10(2,3)17-9(16)15(4)6-5-7(11)13-14-8(6)12/h5H,1-4H3
InChIKeyGVXYJSKNZAXPDE-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.15
Rot. Bonds1

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

tert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate (PubChem CID 44630700) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is tert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate
PubChem CID44630700
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC Nametert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc(Cl)nnc1Cl
InChIInChI=1S/C10H13Cl2N3O2/c1-10(2,3)17-9(16)15(4)6-5-7(11)13-14-8(6)12/h5H,1-4H3
InChIKeyGVXYJSKNZAXPDE-UHFFFAOYSA-N
XLogP3.15
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.15
H-Bond Donors ≤ 50
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
4-(Boc-amino)-3,6-dichloropyridazine
CID 56923827
Tert-butyl 4-(3,6-dichloropyridazin-4-yl)piperazine-1-carboxylate
CID 59542894
(R)-tert-butyl 1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl(methyl)carbamate
CID 86652502
4-(3,6-Dichloro-pyridazin-4-ylamino)-piperidine-1-carboxylic acid tert-butyl ester
CID 86718542
tert-butyl N-[1-(6-chloropyridazin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 87263209
But-3-enyl-(3,6-dichloropyridazin-4-yl)carbamic acid
CID 87358328
4-(3,6-Dichloropyridazin-4-yl)piperazine-1-carboxylic acid
CID 87524572
(3,6-Dichloropyridazin-4-yl)-methylcarbamic acid
CID 89251172
tert-butyl N-(6-chloropyridazin-4-yl)carbamate
CID 89288193
Tert-butyl 4-(6-chloropyridazin-4-yl)piperazine-1-carboxylate
CID 91812175
Tert-butyl (2-((3,6-dichloropyridazin-4-yl)amino)ethyl)carbamate
CID 114518195

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate (CID 44630700) is tert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc(Cl)nnc1Cl.
What is the InChIKey of tert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate?
The InChIKey is GVXYJSKNZAXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O2/c1-10(2,3)17-9(16)15(4)6-5-7(11)13-14-8(6)12/h5H,1-4H3.
What are the key properties of tert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate?
tert-butyl N-(3,6-dichloropyridazin-4-yl)-N-methylcarbamate has a molecular weight of 278.14 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 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)-N-methylcarbamate is sourced from PubChem (CID 44630700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).