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

C13H21N3O2 — CID 103616206

IUPAC6-oxo-N-pentyl-N-propan-2-yl-1H-pyridazine-3-carboxamide
SMILESCCCCCN(C(=O)c1ccc(=O)[nH]n1)C(C)C
InChIInChI=1S/C13H21N3O2/c1-4-5-6-9-16(10(2)3)13(18)11-7-8-12(17)15-14-11/h7-8,10H,4-6,9H2,1-3H3,(H,15,17)
InChIKeyONFRTICHEJOEAM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.81
Rot. Bonds6

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

6-oxo-N-pentyl-N-propan-2-yl-1H-pyridazine-3-carboxamide (PubChem CID 103616206) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-oxo-N-pentyl-N-propan-2-yl-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-pentyl-N-propan-2-yl-1H-pyridazine-3-carboxamide
PubChem CID103616206
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name6-oxo-N-pentyl-N-propan-2-yl-1H-pyridazine-3-carboxamide
SMILESCCCCCN(C(=O)c1ccc(=O)[nH]n1)C(C)C
InChIInChI=1S/C13H21N3O2/c1-4-5-6-9-16(10(2)3)13(18)11-7-8-12(17)15-14-11/h7-8,10H,4-6,9H2,1-3H3,(H,15,17)
InChIKeyONFRTICHEJOEAM-UHFFFAOYSA-N
XLogP1.81
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-pentyl-N-propan-2-yl-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-pentyl-N-propan-2-yl-1H-pyridazine-3-carboxamide (CID 103616206) is 6-oxo-N-pentyl-N-propan-2-yl-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-pentyl-N-propan-2-yl-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-pentyl-N-propan-2-yl-1H-pyridazine-3-carboxamide is CCCCCN(C(=O)c1ccc(=O)[nH]n1)C(C)C.
What is the InChIKey of 6-oxo-N-pentyl-N-propan-2-yl-1H-pyridazine-3-carboxamide?
The InChIKey is ONFRTICHEJOEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-5-6-9-16(10(2)3)13(18)11-7-8-12(17)15-14-11/h7-8,10H,4-6,9H2,1-3H3,(H,15,17).
What are the key properties of 6-oxo-N-pentyl-N-propan-2-yl-1H-pyridazine-3-carboxamide?
6-oxo-N-pentyl-N-propan-2-yl-1H-pyridazine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-pentyl-N-propan-2-yl-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103616206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).