N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide

C10H15N3O2 — CID 59531630

IUPACN-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide
SMILESCn1nccc(C(=O)NC(C)(C)C)c1=O
InChIInChI=1S/C10H15N3O2/c1-10(2,3)12-8(14)7-5-6-11-13(4)9(7)15/h5-6H,1-4H3,(H,12,14)
InChIKeyHQFIPYFQSJNAEG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.31
Rot. Bonds1

About N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide

N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide (PubChem CID 59531630) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide
PubChem CID59531630
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide
SMILESCn1nccc(C(=O)NC(C)(C)C)c1=O
InChIInChI=1S/C10H15N3O2/c1-10(2,3)12-8(14)7-5-6-11-13(4)9(7)15/h5-6H,1-4H3,(H,12,14)
InChIKeyHQFIPYFQSJNAEG-UHFFFAOYSA-N
XLogP0.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide (CID 59531630) is N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide is Cn1nccc(C(=O)NC(C)(C)C)c1=O.
What is the InChIKey of N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide?
The InChIKey is HQFIPYFQSJNAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(2,3)12-8(14)7-5-6-11-13(4)9(7)15/h5-6H,1-4H3,(H,12,14).
What are the key properties of N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide?
N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 59531630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).