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

C9H12N6O2 — CID 113375209

IUPAC6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCn2ccnn2)=NN1
InChIInChI=1S/C9H12N6O2/c16-8-2-1-7(12-13-8)9(17)10-3-5-15-6-4-11-14-15/h4,6H,1-3,5H2,(H,10,17)(H,13,16)
InChIKeyBVALQBCWDAWCMX-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.34
Rot. Bonds4

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

6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 113375209) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID113375209
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCn2ccnn2)=NN1
InChIInChI=1S/C9H12N6O2/c16-8-2-1-7(12-13-8)9(17)10-3-5-15-6-4-11-14-15/h4,6H,1-3,5H2,(H,10,17)(H,13,16)
InChIKeyBVALQBCWDAWCMX-UHFFFAOYSA-N
XLogP-1.34
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795677
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110742749
6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 113375229
N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115569713
N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115600332
N-(2-cyclopentylethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60734317
6-oxo-N-[2-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110741013
2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide
CID 126799160
N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115636652
N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110742789
5-hydrazinyl-N-[2-(triazol-1-yl)ethyl]pyridine-2-carboxamide
CID 104643051
3-hydrazinyl-N-[2-(triazol-1-yl)ethyl]pyridine-4-carboxamide
CID 105072445

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 113375209) is 6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCCn2ccnn2)=NN1.
What is the InChIKey of 6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is BVALQBCWDAWCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c16-8-2-1-7(12-13-8)9(17)10-3-5-15-6-4-11-14-15/h4,6H,1-3,5H2,(H,10,17)(H,13,16).
What are the key properties of 6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 236.23 g/mol, XLogP of -1.34, 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]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 113375209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).