6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide

C8H11N3O2 — CID 60634409

IUPAC6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H11N3O2/c1-5(2)9-8(13)6-3-4-7(12)11-10-6/h3-5H,1-2H3,(H,9,13)(H,11,12)
InChIKeyLJWJIEKSGFRRDH-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.09
Rot. Bonds2

About 6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide

6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide (PubChem CID 60634409) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide
PubChem CID60634409
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H11N3O2/c1-5(2)9-8(13)6-3-4-7(12)11-10-6/h3-5H,1-2H3,(H,9,13)(H,11,12)
InChIKeyLJWJIEKSGFRRDH-UHFFFAOYSA-N
XLogP-0.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide (CID 60634409) is 6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide is CC(C)NC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide?
The InChIKey is LJWJIEKSGFRRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5(2)9-8(13)6-3-4-7(12)11-10-6/h3-5H,1-2H3,(H,9,13)(H,11,12).
What are the key properties of 6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide?
6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propan-2-yl-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60634409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).