N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide

C13H12N6O2S — CID 71805261

IUPACN-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCn1nc(-n2cncn2)ccc1=O)c1ccsc1
InChIInChI=1S/C13H12N6O2S/c20-12-2-1-11(19-9-14-8-16-19)17-18(12)5-4-15-13(21)10-3-6-22-7-10/h1-3,6-9H,4-5H2,(H,15,21)
InChIKeyKGPJQGQEBVIEAL-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.32
Rot. Bonds5

About N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide

N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide (PubChem CID 71805261) has the molecular formula C13H12N6O2S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide
PubChem CID71805261
Molecular FormulaC13H12N6O2S
Molecular Weight316.35 g/mol
Exact Mass316.07
IUPAC NameN-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCn1nc(-n2cncn2)ccc1=O)c1ccsc1
InChIInChI=1S/C13H12N6O2S/c20-12-2-1-11(19-9-14-8-16-19)17-18(12)5-4-15-13(21)10-3-6-22-7-10/h1-3,6-9H,4-5H2,(H,15,21)
InChIKeyKGPJQGQEBVIEAL-UHFFFAOYSA-N
XLogP0.32
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide (CID 71805261) is N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide is O=C(NCCn1nc(-n2cncn2)ccc1=O)c1ccsc1.
What is the InChIKey of N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is KGPJQGQEBVIEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2S/c20-12-2-1-11(19-9-14-8-16-19)17-18(12)5-4-15-13(21)10-3-6-22-7-10/h1-3,6-9H,4-5H2,(H,15,21).
What are the key properties of N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide?
N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 316.35 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 71805261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).