2-tert-butyl-5-methoxypyridazin-3-one

C9H14N2O2 — CID 14370419

IUPAC2-tert-butyl-5-methoxypyridazin-3-one
SMILESCOc1cnn(C(C)(C)C)c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)11-8(12)5-7(13-4)6-10-11/h5-6H,1-4H3
InChIKeyDKFRMHJTKWYLSI-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.01
Rot. Bonds1

About 2-tert-butyl-5-methoxypyridazin-3-one

2-tert-butyl-5-methoxypyridazin-3-one (PubChem CID 14370419) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-tert-butyl-5-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-5-methoxypyridazin-3-one
PubChem CID14370419
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-tert-butyl-5-methoxypyridazin-3-one
SMILESCOc1cnn(C(C)(C)C)c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)11-8(12)5-7(13-4)6-10-11/h5-6H,1-4H3
InChIKeyDKFRMHJTKWYLSI-UHFFFAOYSA-N
XLogP1.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methoxypyridazin-3-one?
The IUPAC name of 2-tert-butyl-5-methoxypyridazin-3-one (CID 14370419) is 2-tert-butyl-5-methoxypyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-5-methoxypyridazin-3-one?
The canonical SMILES for 2-tert-butyl-5-methoxypyridazin-3-one is COc1cnn(C(C)(C)C)c(=O)c1.
What is the InChIKey of 2-tert-butyl-5-methoxypyridazin-3-one?
The InChIKey is DKFRMHJTKWYLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,3)11-8(12)5-7(13-4)6-10-11/h5-6H,1-4H3.
What are the key properties of 2-tert-butyl-5-methoxypyridazin-3-one?
2-tert-butyl-5-methoxypyridazin-3-one has a molecular weight of 182.22 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methoxypyridazin-3-one is sourced from PubChem (CID 14370419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).