butyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate

C11H17N3O3 — CID 176895558

IUPACbutyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate
SMILESCCCCOC(=O)Nc1cc(C)c(CO)nn1
InChIInChI=1S/C11H17N3O3/c1-3-4-5-17-11(16)12-10-6-8(2)9(7-15)13-14-10/h6,15H,3-5,7H2,1-2H3,(H,12,14,16)
InChIKeyIQQXMVSVMKTGQB-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.63
Rot. Bonds5

About butyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate

butyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate (PubChem CID 176895558) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is butyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate
PubChem CID176895558
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namebutyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate
SMILESCCCCOC(=O)Nc1cc(C)c(CO)nn1
InChIInChI=1S/C11H17N3O3/c1-3-4-5-17-11(16)12-10-6-8(2)9(7-15)13-14-10/h6,15H,3-5,7H2,1-2H3,(H,12,14,16)
InChIKeyIQQXMVSVMKTGQB-UHFFFAOYSA-N
XLogP1.63
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate?
The IUPAC name of butyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate (CID 176895558) is butyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate.
What is the SMILES notation for butyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate?
The canonical SMILES for butyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate is CCCCOC(=O)Nc1cc(C)c(CO)nn1.
What is the InChIKey of butyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate?
The InChIKey is IQQXMVSVMKTGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-4-5-17-11(16)12-10-6-8(2)9(7-15)13-14-10/h6,15H,3-5,7H2,1-2H3,(H,12,14,16).
What are the key properties of butyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate?
butyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate has a molecular weight of 239.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamate is sourced from PubChem (CID 176895558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).