N-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide

C9H13N3O2 — CID 123233261

IUPACN-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccn[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-9(2,3)11-7(13)6-4-5-10-12-8(6)14/h4-5H,1-3H3,(H,11,13)(H,12,14)
InChIKeyUHGSOSOGIYATGB-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.30
Rot. Bonds1

About N-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide

N-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 123233261) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID123233261
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccn[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-9(2,3)11-7(13)6-4-5-10-12-8(6)14/h4-5H,1-3H3,(H,11,13)(H,12,14)
InChIKeyUHGSOSOGIYATGB-UHFFFAOYSA-N
XLogP0.30
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide (CID 123233261) is N-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide is CC(C)(C)NC(=O)c1ccn[nH]c1=O.
What is the InChIKey of N-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is UHGSOSOGIYATGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-9(2,3)11-7(13)6-4-5-10-12-8(6)14/h4-5H,1-3H3,(H,11,13)(H,12,14).
What are the key properties of N-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide?
N-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 123233261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).