3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide

C12H15N3O — CID 115877389

IUPAC3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide
SMILESC#CC(C)(C)NC(=O)c1cc(C)nnc1C
InChIInChI=1S/C12H15N3O/c1-6-12(4,5)13-11(16)10-7-8(2)14-15-9(10)3/h1,7H,2-5H3,(H,13,16)
InChIKeyTYEIQDHURRKAAN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.24
Rot. Bonds2

About 3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide

3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide (PubChem CID 115877389) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide
PubChem CID115877389
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide
SMILESC#CC(C)(C)NC(=O)c1cc(C)nnc1C
InChIInChI=1S/C12H15N3O/c1-6-12(4,5)13-11(16)10-7-8(2)14-15-9(10)3/h1,7H,2-5H3,(H,13,16)
InChIKeyTYEIQDHURRKAAN-UHFFFAOYSA-N
XLogP1.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 113434978
N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 106168140
N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 105058784
2-fluoro-4-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
CID 79795774
2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
CID 63999734
tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 103881073
3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide
CID 104670537
N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 114149529
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473920
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 104669910
2,3-difluoro-N-(2-methylbut-3-yn-2-yl)pyridine-4-carboxamide
CID 105381262
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670487

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide (CID 115877389) is 3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide is C#CC(C)(C)NC(=O)c1cc(C)nnc1C.
What is the InChIKey of 3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide?
The InChIKey is TYEIQDHURRKAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-6-12(4,5)13-11(16)10-7-8(2)14-15-9(10)3/h1,7H,2-5H3,(H,13,16).
What are the key properties of 3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide?
3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 115877389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).