5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H16N10O2 — CID 71805267

IUPAC5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCCn3nc(-n4cncn4)ccc3=O)nc2n1
InChIInChI=1S/C16H16N10O2/c1-10-7-11(2)26-16(20-10)21-14(23-26)15(28)18-5-6-24-13(27)4-3-12(22-24)25-9-17-8-19-25/h3-4,7-9H,5-6H2,1-2H3,(H,18,28)
InChIKeyOXSRNZUKYGQMIT-UHFFFAOYSA-N
MW380.37 g/mol
LogP-0.69
Rot. Bonds5

About 5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 71805267) has the molecular formula C16H16N10O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID71805267
Molecular FormulaC16H16N10O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCCn3nc(-n4cncn4)ccc3=O)nc2n1
InChIInChI=1S/C16H16N10O2/c1-10-7-11(2)26-16(20-10)21-14(23-26)15(28)18-5-6-24-13(27)4-3-12(22-24)25-9-17-8-19-25/h3-4,7-9H,5-6H2,1-2H3,(H,18,28)
InChIKeyOXSRNZUKYGQMIT-UHFFFAOYSA-N
XLogP-0.69
TPSA137.78 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 71805267) is 5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NCCn3nc(-n4cncn4)ccc3=O)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OXSRNZUKYGQMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N10O2/c1-10-7-11(2)26-16(20-10)21-14(23-26)15(28)18-5-6-24-13(27)4-3-12(22-24)25-9-17-8-19-25/h3-4,7-9H,5-6H2,1-2H3,(H,18,28).
What are the key properties of 5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 380.37 g/mol, XLogP of -0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 71805267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).