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

C14H14N8O3 — CID 71805238

IUPAC1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCn2nc(-n3cncn3)ccc2=O)ccc1=O
InChIInChI=1S/C14H14N8O3/c1-20-12(23)4-2-10(18-20)14(25)16-6-7-21-13(24)5-3-11(19-21)22-9-15-8-17-22/h2-5,8-9H,6-7H2,1H3,(H,16,25)
InChIKeyLTZLQQBTPCJJGE-UHFFFAOYSA-N
MW342.32 g/mol
LogP-1.65
Rot. Bonds5

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

1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide (PubChem CID 71805238) has the molecular formula C14H14N8O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide
PubChem CID71805238
Molecular FormulaC14H14N8O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCn2nc(-n3cncn3)ccc2=O)ccc1=O
InChIInChI=1S/C14H14N8O3/c1-20-12(23)4-2-10(18-20)14(25)16-6-7-21-13(24)5-3-11(19-21)22-9-15-8-17-22/h2-5,8-9H,6-7H2,1H3,(H,16,25)
InChIKeyLTZLQQBTPCJJGE-UHFFFAOYSA-N
XLogP-1.65
TPSA129.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]thiophene-3-carboxamide
CID 71805261
2-(2-methylphenyl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
CID 71805227
N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71805266
(2S)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2-phenylbutanamide
CID 97414837
4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide
CID 71805265
3-(2,4-dioxopyrimidin-1-yl)-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]propanamide
CID 71805242
4-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]chromene-2-carboxamide
CID 71805250
2-cyclopentylsulfanyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]acetamide
CID 71805232
2-methyl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 71805251
4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 43091994
1-methyl-6-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]pyridazine-3-carboxamide
CID 122277284
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119099491

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide (CID 71805238) is 1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide is Cn1nc(C(=O)NCCn2nc(-n3cncn3)ccc2=O)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide?
The InChIKey is LTZLQQBTPCJJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8O3/c1-20-12(23)4-2-10(18-20)14(25)16-6-7-21-13(24)5-3-11(19-21)22-9-15-8-17-22/h2-5,8-9H,6-7H2,1H3,(H,16,25).
What are the key properties of 1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide has a molecular weight of 342.32 g/mol, XLogP of -1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 71805238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).