N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide

C12H19N3O4 — CID 66169014

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NCC(C)(O)CO)c1C
InChIInChI=1S/C12H19N3O4/c1-7-8(2)14-15(4)11(18)9(7)10(17)13-5-12(3,19)6-16/h16,19H,5-6H2,1-4H3,(H,13,17)
InChIKeyJOOPLGUFTNLETE-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.13
Rot. Bonds4

About N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide

N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide (PubChem CID 66169014) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
PubChem CID66169014
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NCC(C)(O)CO)c1C
InChIInChI=1S/C12H19N3O4/c1-7-8(2)14-15(4)11(18)9(7)10(17)13-5-12(3,19)6-16/h16,19H,5-6H2,1-4H3,(H,13,17)
InChIKeyJOOPLGUFTNLETE-UHFFFAOYSA-N
XLogP-1.13
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2-methylpentyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 103874312
2,5,6-trimethyl-3-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-4-carboxamide
CID 103874335
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 130158705
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 114751386
(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
2-[2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526397
4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid
CID 62044160
(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 80749718
N-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 66168311
N-(2-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119629510
N-(4-hydroxy-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103772900

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide (CID 66169014) is N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide is Cc1nn(C)c(=O)c(C(=O)NCC(C)(O)CO)c1C.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The InChIKey is JOOPLGUFTNLETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-7-8(2)14-15(4)11(18)9(7)10(17)13-5-12(3,19)6-16/h16,19H,5-6H2,1-4H3,(H,13,17).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide has a molecular weight of 269.30 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 66169014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).