tert-butyl N-(6-chloropyridazin-3-yl)carbamate

C9H12ClN3O2 — CID 57415766

IUPACtert-butyl N-(6-chloropyridazin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C9H12ClN3O2/c1-9(2,3)15-8(14)11-7-5-4-6(10)12-13-7/h4-5H,1-3H3,(H,11,13,14)
InChIKeyFTDBVEUCBIBDHS-UHFFFAOYSA-N
MW229.67 g/mol
LogP2.48
Rot. Bonds1

About tert-butyl N-(6-chloropyridazin-3-yl)carbamate

tert-butyl N-(6-chloropyridazin-3-yl)carbamate (PubChem CID 57415766) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is tert-butyl N-(6-chloropyridazin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-chloropyridazin-3-yl)carbamate
PubChem CID57415766
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Nametert-butyl N-(6-chloropyridazin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C9H12ClN3O2/c1-9(2,3)15-8(14)11-7-5-4-6(10)12-13-7/h4-5H,1-3H3,(H,11,13,14)
InChIKeyFTDBVEUCBIBDHS-UHFFFAOYSA-N
XLogP2.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazin-3-yl]amino]benzoate
CID 113049504
tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate
CID 113049625
tert-butyl N-[6-(4-ethylanilino)pyridazin-3-yl]carbamate
CID 113046746
tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate
CID 123779338
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl 3-[(6-chloropyridazin-3-yl)amino]azetidine-1-carboxylate
CID 146078205
methyl 2-[3-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazin-4-yl]acetate
CID 164525057
tert-butyl N-[4-(6-chloropyridazin-3-yl)-3-pyridinyl]carbamate
CID 177188563
tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate
CID 113044818
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043128
2-bromo-N-(6-chloropyridazin-3-yl)propanamide
CID 107905835

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-chloropyridazin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(6-chloropyridazin-3-yl)carbamate (CID 57415766) is tert-butyl N-(6-chloropyridazin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-chloropyridazin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-chloropyridazin-3-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc(Cl)nn1.
What is the InChIKey of tert-butyl N-(6-chloropyridazin-3-yl)carbamate?
The InChIKey is FTDBVEUCBIBDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-9(2,3)15-8(14)11-7-5-4-6(10)12-13-7/h4-5H,1-3H3,(H,11,13,14).
What are the key properties of tert-butyl N-(6-chloropyridazin-3-yl)carbamate?
tert-butyl N-(6-chloropyridazin-3-yl)carbamate has a molecular weight of 229.67 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-chloropyridazin-3-yl)carbamate is sourced from PubChem (CID 57415766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).