N-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide

C13H21N3O — CID 58780742

IUPACN-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)N(CC(C)(C)C)C(=O)c1cccnn1
InChIInChI=1S/C13H21N3O/c1-10(2)16(9-13(3,4)5)12(17)11-7-6-8-14-15-11/h6-8,10H,9H2,1-5H3
InChIKeyZOZKJJFZHBDKIC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.37
Rot. Bonds3

About N-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide

N-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 58780742) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID58780742
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)N(CC(C)(C)C)C(=O)c1cccnn1
InChIInChI=1S/C13H21N3O/c1-10(2)16(9-13(3,4)5)12(17)11-7-6-8-14-15-11/h6-8,10H,9H2,1-5H3
InChIKeyZOZKJJFZHBDKIC-UHFFFAOYSA-N
XLogP2.37
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide (CID 58780742) is N-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide is CC(C)N(CC(C)(C)C)C(=O)c1cccnn1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is ZOZKJJFZHBDKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)16(9-13(3,4)5)12(17)11-7-6-8-14-15-11/h6-8,10H,9H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide?
N-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 58780742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).