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

C10H14N4O2 — CID 60958688

IUPACN-(2-cyanoethyl)-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCN(CCC#N)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H14N4O2/c1-2-14(7-3-6-11)10(16)8-4-5-9(15)13-12-8/h2-5,7H2,1H3,(H,13,15)
InChIKeyYFTOVNWCUAUBBL-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.01
Rot. Bonds4

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

N-(2-cyanoethyl)-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60958688) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60958688
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-(2-cyanoethyl)-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCN(CCC#N)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H14N4O2/c1-2-14(7-3-6-11)10(16)8-4-5-9(15)13-12-8/h2-5,7H2,1H3,(H,13,15)
InChIKeyYFTOVNWCUAUBBL-UHFFFAOYSA-N
XLogP0.01
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60958688) is N-(2-cyanoethyl)-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CCN(CCC#N)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is YFTOVNWCUAUBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-2-14(7-3-6-11)10(16)8-4-5-9(15)13-12-8/h2-5,7H2,1H3,(H,13,15).
What are the key properties of N-(2-cyanoethyl)-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(2-cyanoethyl)-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 222.25 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60958688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).