1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide

C11H17N3O3 — CID 110001003

IUPAC1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)NC(C)(C)CO)ccc1=O
InChIInChI=1S/C11H17N3O3/c1-4-14-9(16)6-5-8(13-14)10(17)12-11(2,3)7-15/h5-6,15H,4,7H2,1-3H3,(H,12,17)
InChIKeyMWSDTMWOQHHALI-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.24
Rot. Bonds4

About 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide

1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 110001003) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide
PubChem CID110001003
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)NC(C)(C)CO)ccc1=O
InChIInChI=1S/C11H17N3O3/c1-4-14-9(16)6-5-8(13-14)10(17)12-11(2,3)7-15/h5-6,15H,4,7H2,1-3H3,(H,12,17)
InChIKeyMWSDTMWOQHHALI-UHFFFAOYSA-N
XLogP-0.24
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62521741
1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide
CID 111115815
2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43618915
N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103945933
2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79789283
1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 121066950
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide
CID 56806878
1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 121066866
1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 121066991
1-butyl-N-[(2-methylpropan-2-yl)oxy]-6-oxopyridazine-3-carboxamide
CID 82724984
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide (CID 110001003) is 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide is CCn1nc(C(=O)NC(C)(C)CO)ccc1=O.
What is the InChIKey of 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is MWSDTMWOQHHALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-14-9(16)6-5-8(13-14)10(17)12-11(2,3)7-15/h5-6,15H,4,7H2,1-3H3,(H,12,17).
What are the key properties of 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide?
1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 110001003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).