N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C9H12N4O2 — CID 62652057

IUPACN-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C#N)CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H12N4O2/c1-6(4-10)5-11-9(15)7-2-3-8(14)13-12-7/h6H,2-3,5H2,1H3,(H,11,15)(H,13,14)
InChIKeyAYFBYCLQEMGBCZ-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.47
Rot. Bonds3

About N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 62652057) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID62652057
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC NameN-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(C#N)CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C9H12N4O2/c1-6(4-10)5-11-9(15)7-2-3-8(14)13-12-7/h6H,2-3,5H2,1H3,(H,11,15)(H,13,14)
InChIKeyAYFBYCLQEMGBCZ-UHFFFAOYSA-N
XLogP-0.47
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 62652057) is N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(C#N)CNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is AYFBYCLQEMGBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-6(4-10)5-11-9(15)7-2-3-8(14)13-12-7/h6H,2-3,5H2,1H3,(H,11,15)(H,13,14).
What are the key properties of N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 62652057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).