1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide

C11H14N6O4 — CID 83090099

IUPAC1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2nc(OC)n[nH]2)ccc1=O
InChIInChI=1S/C11H14N6O4/c1-20-6-5-17-8(18)4-3-7(16-17)9(19)12-10-13-11(21-2)15-14-10/h3-4H,5-6H2,1-2H3,(H2,12,13,14,15,19)
InChIKeyQZLAVHJYASGZHK-UHFFFAOYSA-N
MW294.27 g/mol
LogP-0.73
Rot. Bonds6

About 1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide

1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 83090099) has the molecular formula C11H14N6O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide
PubChem CID83090099
Molecular FormulaC11H14N6O4
Molecular Weight294.27 g/mol
Exact Mass294.11
IUPAC Name1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2nc(OC)n[nH]2)ccc1=O
InChIInChI=1S/C11H14N6O4/c1-20-6-5-17-8(18)4-3-7(16-17)9(19)12-10-13-11(21-2)15-14-10/h3-4H,5-6H2,1-2H3,(H2,12,13,14,15,19)
InChIKeyQZLAVHJYASGZHK-UHFFFAOYSA-N
XLogP-0.73
TPSA124.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide
CID 78927868
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
N-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24537228
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]oxyacetic acid
CID 63930762
1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 35019256
1-(2-methoxyethyl)-N-(4-methylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 31796636
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
1-(2-methoxyethyl)-N'-[2-(4-methoxyphenyl)acetyl]-6-oxopyridazine-3-carbohydrazide
CID 24553901
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide (CID 83090099) is 1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)Nc2nc(OC)n[nH]2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is QZLAVHJYASGZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O4/c1-20-6-5-17-8(18)4-3-7(16-17)9(19)12-10-13-11(21-2)15-14-10/h3-4H,5-6H2,1-2H3,(H2,12,13,14,15,19).
What are the key properties of 1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide?
1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 294.27 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 83090099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).