3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide

C10H14ClN3O3 — CID 138634155

IUPAC3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESCC(NC(=O)c1cc(Cl)n[nH]c1=O)C(C)(C)O
InChIInChI=1S/C10H14ClN3O3/c1-5(10(2,3)17)12-8(15)6-4-7(11)13-14-9(6)16/h4-5,17H,1-3H3,(H,12,15)(H,14,16)
InChIKeyIUAXPTVFDSXMCV-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.31
Rot. Bonds3

About 3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide

3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 138634155) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID138634155
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESCC(NC(=O)c1cc(Cl)n[nH]c1=O)C(C)(C)O
InChIInChI=1S/C10H14ClN3O3/c1-5(10(2,3)17)12-8(15)6-4-7(11)13-14-9(6)16/h4-5,17H,1-3H3,(H,12,15)(H,14,16)
InChIKeyIUAXPTVFDSXMCV-UHFFFAOYSA-N
XLogP0.31
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of 3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide (CID 138634155) is 3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide is CC(NC(=O)c1cc(Cl)n[nH]c1=O)C(C)(C)O.
What is the InChIKey of 3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is IUAXPTVFDSXMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-5(10(2,3)17)12-8(15)6-4-7(11)13-14-9(6)16/h4-5,17H,1-3H3,(H,12,15)(H,14,16).
What are the key properties of 3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide?
3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 259.69 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 138634155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).