N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide

C12H19N3O2 — CID 113476040

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)(C)CO)c(C)nn1
InChIInChI=1S/C12H19N3O2/c1-8-6-10(9(2)14-13-8)11(17)15(5)12(3,4)7-16/h6,16H,7H2,1-5H3
InChIKeyWKLXMFFEHMANMA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.94
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide (PubChem CID 113476040) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide
PubChem CID113476040
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)(C)CO)c(C)nn1
InChIInChI=1S/C12H19N3O2/c1-8-6-10(9(2)14-13-8)11(17)15(5)12(3,4)7-16/h6,16H,7H2,1-5H3
InChIKeyWKLXMFFEHMANMA-UHFFFAOYSA-N
XLogP0.94
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,6-trimethyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671510
3-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzamide
CID 113475336
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide
CID 113475389
2-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
CID 107988364
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide
CID 114220437
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 113434978
N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide
CID 104671415
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide
CID 105071219
N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 105058784
N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104668867
3-ethyl-N-(2-hydroxyethyl)-N,6-dimethylpyridazine-4-carboxamide
CID 104625488
2-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylfuran-3-carboxamide
CID 106854337

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide (CID 113476040) is N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide is Cc1cc(C(=O)N(C)C(C)(C)CO)c(C)nn1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide?
The InChIKey is WKLXMFFEHMANMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-6-10(9(2)14-13-8)11(17)15(5)12(3,4)7-16/h6,16H,7H2,1-5H3.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-N,3,6-trimethylpyridazine-4-carboxamide is sourced from PubChem (CID 113476040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).