N-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

C12H19N3O2 — CID 103708355

IUPACN-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H19N3O2/c1-4-8(2)7-9(3)13-12(17)10-5-6-11(16)15-14-10/h5-6,8-9H,4,7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyBONQJQIJXOWXMG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.32
Rot. Bonds5

About N-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103708355) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103708355
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H19N3O2/c1-4-8(2)7-9(3)13-12(17)10-5-6-11(16)15-14-10/h5-6,8-9H,4,7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyBONQJQIJXOWXMG-UHFFFAOYSA-N
XLogP1.32
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103708355) is N-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is CCC(C)CC(C)NC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is BONQJQIJXOWXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-8(2)7-9(3)13-12(17)10-5-6-11(16)15-14-10/h5-6,8-9H,4,7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of N-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhexan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103708355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).