tert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate

C13H20N4O2 — CID 139373990

IUPACtert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate
SMILESCC1(NC(=O)OC(C)(C)C)CN(c2cccnn2)C1
InChIInChI=1S/C13H20N4O2/c1-12(2,3)19-11(18)15-13(4)8-17(9-13)10-6-5-7-14-16-10/h5-7H,8-9H2,1-4H3,(H,15,18)
InChIKeyYNOOJZBQSXEZKC-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.58
Rot. Bonds2

About tert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate

tert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate (PubChem CID 139373990) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is tert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate
PubChem CID139373990
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nametert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate
SMILESCC1(NC(=O)OC(C)(C)C)CN(c2cccnn2)C1
InChIInChI=1S/C13H20N4O2/c1-12(2,3)19-11(18)15-13(4)8-17(9-13)10-6-5-7-14-16-10/h5-7H,8-9H2,1-4H3,(H,15,18)
InChIKeyYNOOJZBQSXEZKC-UHFFFAOYSA-N
XLogP1.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(4-fluoro-2-pyridinyl)-3-methylazetidin-3-yl]carbamate
CID 170708877
2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide
CID 142323092
tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate
CID 118542685
tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen
CID 145321014
tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate
CID 169494715
tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate
CID 19694924
tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate
CID 167723970
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
CID 115657296
tert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate
CID 175845552
tert-butyl N-(3-cyano-1-pyridin-2-ylpiperidin-3-yl)carbamate
CID 170991249
benzyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 19691286

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate (CID 139373990) is tert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate is CC1(NC(=O)OC(C)(C)C)CN(c2cccnn2)C1.
What is the InChIKey of tert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate?
The InChIKey is YNOOJZBQSXEZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-12(2,3)19-11(18)15-13(4)8-17(9-13)10-6-5-7-14-16-10/h5-7H,8-9H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate?
tert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate has a molecular weight of 264.33 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)carbamate is sourced from PubChem (CID 139373990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).