3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

C12H16N4O2 — CID 116786903

IUPAC3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C12H16N4O2/c13-11-7-2-1-6(5-7)10(11)12(18)14-8-3-4-9(17)16-15-8/h3-4,6-7,10-11H,1-2,5,13H2,(H,16,17)(H,14,15,18)
InChIKeyKBKDCIKMECLLFY-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.08
Rot. Bonds2

About 3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 116786903) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID116786903
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C12H16N4O2/c13-11-7-2-1-6(5-7)10(11)12(18)14-8-3-4-9(17)16-15-8/h3-4,6-7,10-11H,1-2,5,13H2,(H,16,17)(H,14,15,18)
InChIKeyKBKDCIKMECLLFY-UHFFFAOYSA-N
XLogP0.08
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 116786903) is 3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KBKDCIKMECLLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-11-7-2-1-6(5-7)10(11)12(18)14-8-3-4-9(17)16-15-8/h3-4,6-7,10-11H,1-2,5,13H2,(H,16,17)(H,14,15,18).
What are the key properties of 3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 116786903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).