tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate

C14H22N4O2 — CID 146078134

IUPACtert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate
SMILESCc1ccc(N2CC(N(C)C(=O)OC(C)(C)C)C2)nn1
InChIInChI=1S/C14H22N4O2/c1-10-6-7-12(16-15-10)18-8-11(9-18)17(5)13(19)20-14(2,3)4/h6-7,11H,8-9H2,1-5H3
InChIKeyUWBJKXIENIGKMD-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.84
Rot. Bonds2

About tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate

tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate (PubChem CID 146078134) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate
PubChem CID146078134
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate
SMILESCc1ccc(N2CC(N(C)C(=O)OC(C)(C)C)C2)nn1
InChIInChI=1S/C14H22N4O2/c1-10-6-7-12(16-15-10)18-8-11(9-18)17(5)13(19)20-14(2,3)4/h6-7,11H,8-9H2,1-5H3
InChIKeyUWBJKXIENIGKMD-UHFFFAOYSA-N
XLogP1.84
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxylic acid
CID 175506304
tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate
CID 66805338
tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate
CID 132508976
tert-butyl N-[(3R)-1-(5-iodo-2-pyridinyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 59704510
tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 155287402
tert-butyl N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylcarbamate
CID 126849629
tert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate
CID 126849602
tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate
CID 126849818
tert-butyl N-[(3R)-1-[4-(N'-hydroxycarbamimidoyl)phenyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 173094586
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
ethyl 6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]pyridine-3-carboxylate
CID 86777154
tert-butyl N-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-N-(3-fluorocyclobutyl)carbamate
CID 167503935

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate (CID 146078134) is tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate is Cc1ccc(N2CC(N(C)C(=O)OC(C)(C)C)C2)nn1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate?
The InChIKey is UWBJKXIENIGKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-6-7-12(16-15-10)18-8-11(9-18)17(5)13(19)20-14(2,3)4/h6-7,11H,8-9H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate?
tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate has a molecular weight of 278.36 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate is sourced from PubChem (CID 146078134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).