cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate

C16H19N3O3 — CID 12805020

IUPACcyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)OCC2CC2)cc1
InChIInChI=1S/C16H19N3O3/c1-10-8-14(20)18-19-15(10)12-4-6-13(7-5-12)17-16(21)22-9-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,21)(H,18,20)
InChIKeyAOQRXVFAPUGHCP-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.51
Rot. Bonds4

About cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate

cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate (PubChem CID 12805020) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate.

Molecular Properties

Compound Namecyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
PubChem CID12805020
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namecyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)OCC2CC2)cc1
InChIInChI=1S/C16H19N3O3/c1-10-8-14(20)18-19-15(10)12-4-6-13(7-5-12)17-16(21)22-9-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,21)(H,18,20)
InChIKeyAOQRXVFAPUGHCP-UHFFFAOYSA-N
XLogP2.51
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate?
The IUPAC name of cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate (CID 12805020) is cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate.
What is the SMILES notation for cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate?
The canonical SMILES for cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate is CC1CC(=O)NN=C1c1ccc(NC(=O)OCC2CC2)cc1.
What is the InChIKey of cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate?
The InChIKey is AOQRXVFAPUGHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-8-14(20)18-19-15(10)12-4-6-13(7-5-12)17-16(21)22-9-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,21)(H,18,20).
What are the key properties of cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate?
cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate has a molecular weight of 301.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate is sourced from PubChem (CID 12805020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).