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

C11H17N3O2 — CID 130934096

IUPACtert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)c(C)nn1
InChIInChI=1S/C11H17N3O2/c1-7-6-9(8(2)14-13-7)12-10(15)16-11(3,4)5/h6H,1-5H3,(H,12,13,15)
InChIKeyZFUYQWMPZPPGBL-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.44
Rot. Bonds1

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

tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate (PubChem CID 130934096) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate
PubChem CID130934096
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nametert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)c(C)nn1
InChIInChI=1S/C11H17N3O2/c1-7-6-9(8(2)14-13-7)12-10(15)16-11(3,4)5/h6H,1-5H3,(H,12,13,15)
InChIKeyZFUYQWMPZPPGBL-UHFFFAOYSA-N
XLogP2.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate
CID 130756012
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-[6-bromo-2-methyl-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 169136684
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921
tert-butyl N-(4-hydroxy-2,3,5-trimethylphenyl)carbamate
CID 22048539
tert-butyl N-[5-(hydroxymethyl)-2,3-dimethylphenyl]carbamate
CID 117115769
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
tert-butyl N-(5-amino-3-chloro-2-methylphenyl)carbamate
CID 172602283

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate (CID 130934096) is tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate is Cc1cc(NC(=O)OC(C)(C)C)c(C)nn1.
What is the InChIKey of tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate?
The InChIKey is ZFUYQWMPZPPGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-6-9(8(2)14-13-7)12-10(15)16-11(3,4)5/h6H,1-5H3,(H,12,13,15).
What are the key properties of tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate?
tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate has a molecular weight of 223.28 g/mol, XLogP of 2.44, 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-dimethylpyridazin-4-yl)carbamate is sourced from PubChem (CID 130934096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).