N-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide

C8H11N3O3 — CID 43418502

IUPACN-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(O)CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H11N3O3/c1-5(12)4-9-8(14)6-2-3-7(13)11-10-6/h2-3,5,12H,4H2,1H3,(H,9,14)(H,11,13)
InChIKeySFKMCSZOSRWVLP-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.12
Rot. Bonds3

About N-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 43418502) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID43418502
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(O)CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H11N3O3/c1-5(12)4-9-8(14)6-2-3-7(13)11-10-6/h2-3,5,12H,4H2,1H3,(H,9,14)(H,11,13)
InChIKeySFKMCSZOSRWVLP-UHFFFAOYSA-N
XLogP-1.12
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 43418502) is N-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide is CC(O)CNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is SFKMCSZOSRWVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(12)4-9-8(14)6-2-3-7(13)11-10-6/h2-3,5,12H,4H2,1H3,(H,9,14)(H,11,13).
What are the key properties of N-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 197.19 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43418502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).