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

C10H12N6O2 — CID 51079829

IUPAC6-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCCCn1cncn1)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H12N6O2/c17-9-3-2-8(14-15-9)10(18)12-4-1-5-16-7-11-6-13-16/h2-3,6-7H,1,4-5H2,(H,12,18)(H,15,17)
InChIKeyFTLBNNIGKMGDLY-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.82
Rot. Bonds5

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

6-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-1H-pyridazine-3-carboxamide (PubChem CID 51079829) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 6-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-1H-pyridazine-3-carboxamide
PubChem CID51079829
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name6-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCCCn1cncn1)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H12N6O2/c17-9-3-2-8(14-15-9)10(18)12-4-1-5-16-7-11-6-13-16/h2-3,6-7H,1,4-5H2,(H,12,18)(H,15,17)
InChIKeyFTLBNNIGKMGDLY-UHFFFAOYSA-N
XLogP-0.82
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-1H-pyridazine-3-carboxamide (CID 51079829) is 6-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-1H-pyridazine-3-carboxamide is O=C(NCCCn1cncn1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-1H-pyridazine-3-carboxamide?
The InChIKey is FTLBNNIGKMGDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c17-9-3-2-8(14-15-9)10(18)12-4-1-5-16-7-11-6-13-16/h2-3,6-7H,1,4-5H2,(H,12,18)(H,15,17).
What are the key properties of 6-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-1H-pyridazine-3-carboxamide has a molecular weight of 248.25 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 51079829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).