cyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate

C16H17N3O3 — CID 70519169

IUPACcyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
SMILESCc1cc(=O)[nH]nc1-c1ccc(NC(=O)OC2CCC2)cc1
InChIInChI=1S/C16H17N3O3/c1-10-9-14(20)18-19-15(10)11-5-7-12(8-6-11)17-16(21)22-13-3-2-4-13/h5-9,13H,2-4H2,1H3,(H,17,21)(H,18,20)
InChIKeyYHRLQQKNEBNBAU-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.85
Rot. Bonds3

About cyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate

cyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate (PubChem CID 70519169) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is cyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate.

Molecular Properties

Compound Namecyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
PubChem CID70519169
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Namecyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
SMILESCc1cc(=O)[nH]nc1-c1ccc(NC(=O)OC2CCC2)cc1
InChIInChI=1S/C16H17N3O3/c1-10-9-14(20)18-19-15(10)11-5-7-12(8-6-11)17-16(21)22-13-3-2-4-13/h5-9,13H,2-4H2,1H3,(H,17,21)(H,18,20)
InChIKeyYHRLQQKNEBNBAU-UHFFFAOYSA-N
XLogP2.85
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
The IUPAC name of cyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate (CID 70519169) is cyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate.
What is the SMILES notation for cyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
The canonical SMILES for cyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate is Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)OC2CCC2)cc1.
What is the InChIKey of cyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
The InChIKey is YHRLQQKNEBNBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-9-14(20)18-19-15(10)11-5-7-12(8-6-11)17-16(21)22-13-3-2-4-13/h5-9,13H,2-4H2,1H3,(H,17,21)(H,18,20).
What are the key properties of cyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
cyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate has a molecular weight of 299.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]carbamate is sourced from PubChem (CID 70519169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).