N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide

C11H17N3O3 — CID 54879576

IUPACN-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)N(C)CCO)c1C
InChIInChI=1S/C11H17N3O3/c1-7-8(2)12-14(4)11(17)9(7)10(16)13(3)5-6-15/h15H,5-6H2,1-4H3
InChIKeyORUNNMUFNPTXQD-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.54
Rot. Bonds3

About N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide

N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide (PubChem CID 54879576) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide
PubChem CID54879576
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)N(C)CCO)c1C
InChIInChI=1S/C11H17N3O3/c1-7-8(2)12-14(4)11(17)9(7)10(16)13(3)5-6-15/h15H,5-6H2,1-4H3
InChIKeyORUNNMUFNPTXQD-UHFFFAOYSA-N
XLogP-0.54
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
CID 43572955
N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 61447846
N,2,5,6-tetramethyl-3-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-4-carboxamide
CID 64511665
2-[tert-butyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 79262253
3-[ethyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]butanoic acid
CID 62827245
ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
CID 52563002
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 114751386
N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 66169014
(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 54990991
N-(2-hydroxyethyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 60652659
2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 43355324
(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 80749718

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide (CID 54879576) is N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide is Cc1nn(C)c(=O)c(C(=O)N(C)CCO)c1C.
What is the InChIKey of N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide?
The InChIKey is ORUNNMUFNPTXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-8(2)12-14(4)11(17)9(7)10(16)13(3)5-6-15/h15H,5-6H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide?
N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 54879576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).