N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide

C8H8N4O2 — CID 82281497

IUPACN-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(C#N)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H8N4O2/c1-5(4-9)10-8(14)6-2-3-7(13)12-11-6/h2-3,5H,1H3,(H,10,14)(H,12,13)
InChIKeyZWDYSRWIKRTUEX-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.59
Rot. Bonds2

About N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 82281497) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID82281497
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC NameN-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(C#N)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H8N4O2/c1-5(4-9)10-8(14)6-2-3-7(13)12-11-6/h2-3,5H,1H3,(H,10,14)(H,12,13)
InChIKeyZWDYSRWIKRTUEX-UHFFFAOYSA-N
XLogP-0.59
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 82281497) is N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide is CC(C#N)NC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is ZWDYSRWIKRTUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-5(4-9)10-8(14)6-2-3-7(13)12-11-6/h2-3,5H,1H3,(H,10,14)(H,12,13).
What are the key properties of N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 192.18 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 82281497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).