6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide

C9H10N6O2 — CID 113375229

IUPAC6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCCn1ccnn1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H10N6O2/c16-8-2-1-7(12-13-8)9(17)10-3-5-15-6-4-11-14-15/h1-2,4,6H,3,5H2,(H,10,17)(H,13,16)
InChIKeyBGFODGCCGQTODL-UHFFFAOYSA-N
MW234.22 g/mol
LogP-1.21
Rot. Bonds4

About 6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide (PubChem CID 113375229) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide
PubChem CID113375229
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCCn1ccnn1)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H10N6O2/c16-8-2-1-7(12-13-8)9(17)10-3-5-15-6-4-11-14-15/h1-2,4,6H,3,5H2,(H,10,17)(H,13,16)
InChIKeyBGFODGCCGQTODL-UHFFFAOYSA-N
XLogP-1.21
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-oxo-N-(3-pyrrol-1-ylpropyl)-1H-pyridazine-3-carboxamide
CID 90500511
5-hydrazinyl-N-[2-(triazol-1-yl)ethyl]pyridine-2-carboxamide
CID 104643051
N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103710654
2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 50981357
6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 49411682
6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113375209
6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide
CID 108926634
N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 2122433
N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 2562095
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
CID 108793495
2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 107832681

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide (CID 113375229) is 6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide is O=C(NCCn1ccnn1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide?
The InChIKey is BGFODGCCGQTODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c16-8-2-1-7(12-13-8)9(17)10-3-5-15-6-4-11-14-15/h1-2,4,6H,3,5H2,(H,10,17)(H,13,16).
What are the key properties of 6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide has a molecular weight of 234.22 g/mol, XLogP of -1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 113375229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).