6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H14N4O2 — CID 110795677

IUPAC6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCc2cc[nH]c2)=NN1
InChIInChI=1S/C11H14N4O2/c16-10-2-1-9(14-15-10)11(17)13-6-4-8-3-5-12-7-8/h3,5,7,12H,1-2,4,6H2,(H,13,17)(H,15,16)
InChIKeyUMTYZAIUOFORDV-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.06
Rot. Bonds4

About 6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110795677) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110795677
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCc2cc[nH]c2)=NN1
InChIInChI=1S/C11H14N4O2/c16-10-2-1-9(14-15-10)11(17)13-6-4-8-3-5-12-7-8/h3,5,7,12H,1-2,4,6H2,(H,13,17)(H,15,16)
InChIKeyUMTYZAIUOFORDV-UHFFFAOYSA-N
XLogP-0.06
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 146025493
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795908
N-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl chloride
CID 115194921
6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113375209
6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 63826133
N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3291050
N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115636652
N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115569713
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795628
2-(1H-pyrrol-3-yl)ethylurea
CID 115168515
5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide
CID 110795686
N-(2-cyclopentylethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60734317

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110795677) is 6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCCc2cc[nH]c2)=NN1.
What is the InChIKey of 6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is UMTYZAIUOFORDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-10-2-1-9(14-15-10)11(17)13-6-4-8-3-5-12-7-8/h3,5,7,12H,1-2,4,6H2,(H,13,17)(H,15,16).
What are the key properties of 6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 234.26 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110795677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).