N-tert-butyl-6-chloropyridazine-3-carboxamide

C9H12ClN3O — CID 12059835

IUPACN-tert-butyl-6-chloropyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C9H12ClN3O/c1-9(2,3)11-8(14)6-4-5-7(10)13-12-6/h4-5H,1-3H3,(H,11,14)
InChIKeyLVRIYZWFJKQUNY-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.66
Rot. Bonds1

About N-tert-butyl-6-chloropyridazine-3-carboxamide

N-tert-butyl-6-chloropyridazine-3-carboxamide (PubChem CID 12059835) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is N-tert-butyl-6-chloropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-chloropyridazine-3-carboxamide
PubChem CID12059835
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC NameN-tert-butyl-6-chloropyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C9H12ClN3O/c1-9(2,3)11-8(14)6-4-5-7(10)13-12-6/h4-5H,1-3H3,(H,11,14)
InChIKeyLVRIYZWFJKQUNY-UHFFFAOYSA-N
XLogP1.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-chloropyridazine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-chloropyridazine-3-carboxamide (CID 12059835) is N-tert-butyl-6-chloropyridazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-chloropyridazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-chloropyridazine-3-carboxamide is CC(C)(C)NC(=O)c1ccc(Cl)nn1.
What is the InChIKey of N-tert-butyl-6-chloropyridazine-3-carboxamide?
The InChIKey is LVRIYZWFJKQUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-9(2,3)11-8(14)6-4-5-7(10)13-12-6/h4-5H,1-3H3,(H,11,14).
What are the key properties of N-tert-butyl-6-chloropyridazine-3-carboxamide?
N-tert-butyl-6-chloropyridazine-3-carboxamide has a molecular weight of 213.67 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-chloropyridazine-3-carboxamide is sourced from PubChem (CID 12059835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).