tert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate

C14H21N3O3 — CID 123977808

IUPACtert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(n2ncccc2=O)C1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-10-6-7-11(9-10)17-12(18)5-4-8-15-17/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,16,19)
InChIKeyKKBXETPMXYCVAK-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.86
Rot. Bonds2

About tert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate

tert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate (PubChem CID 123977808) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate
PubChem CID123977808
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(n2ncccc2=O)C1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-10-6-7-11(9-10)17-12(18)5-4-8-15-17/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,16,19)
InChIKeyKKBXETPMXYCVAK-UHFFFAOYSA-N
XLogP1.86
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate
CID 90397902
2,2-dimethylpropane;[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid
CID 144695431
2-[3-(Cyclopentylamino)propyl]pyridazin-3-one
CID 62851038
[(1R,3R)-3-(6-oxopyridazin-1-yl)cyclopentyl]carbamic acid
CID 144695432

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate (CID 123977808) is tert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(n2ncccc2=O)C1.
What is the InChIKey of tert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate?
The InChIKey is KKBXETPMXYCVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-10-6-7-11(9-10)17-12(18)5-4-8-15-17/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate?
tert-butyl N-[3-(6-oxopyridazin-1-yl)cyclopentyl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 1.86, 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-(6-oxopyridazin-1-yl)cyclopentyl]carbamate is sourced from PubChem (CID 123977808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).