N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide

C13H21N3O3 — CID 43572955

IUPACN-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)N(CCO)C(C)C)c1C
InChIInChI=1S/C13H21N3O3/c1-8(2)16(6-7-17)13(19)11-9(3)10(4)14-15(5)12(11)18/h8,17H,6-7H2,1-5H3
InChIKeyGGRFHWQGXAPFPI-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.24
Rot. Bonds4

About N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide

N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide (PubChem CID 43572955) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
PubChem CID43572955
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)N(CCO)C(C)C)c1C
InChIInChI=1S/C13H21N3O3/c1-8(2)16(6-7-17)13(19)11-9(3)10(4)14-15(5)12(11)18/h8,17H,6-7H2,1-5H3
InChIKeyGGRFHWQGXAPFPI-UHFFFAOYSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-N,2,5,6-tetramethyl-3-oxopyridazine-4-carboxamide
CID 54879576
N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 61447846
3-[ethyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]butanoic acid
CID 62827245
N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43573797
2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 43608029
(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 54990991
2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 43355324
3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 54926881
(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 80749718
2-[tert-butyl-(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 79262253
N-(2-cyanoethyl)-1,3,5-trimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 54996295
ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
CID 52563002

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide (CID 43572955) is N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide is Cc1nn(C)c(=O)c(C(=O)N(CCO)C(C)C)c1C.
What is the InChIKey of N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide?
The InChIKey is GGRFHWQGXAPFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)16(6-7-17)13(19)11-9(3)10(4)14-15(5)12(11)18/h8,17H,6-7H2,1-5H3.
What are the key properties of N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide?
N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxo-N-propan-2-ylpyridazine-4-carboxamide is sourced from PubChem (CID 43572955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).