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

C11H14N6O3 — CID 78927868

IUPAC1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2n[nH]c(C)n2)ccc1=O
InChIInChI=1S/C11H14N6O3/c1-7-12-11(15-14-7)13-10(19)8-3-4-9(18)17(16-8)5-6-20-2/h3-4H,5-6H2,1-2H3,(H2,12,13,14,15,19)
InChIKeyOIMGKWXVVGXMRW-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.43
Rot. Bonds5

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

1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 78927868) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide
PubChem CID78927868
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2n[nH]c(C)n2)ccc1=O
InChIInChI=1S/C11H14N6O3/c1-7-12-11(15-14-7)13-10(19)8-3-4-9(18)17(16-8)5-6-20-2/h3-4H,5-6H2,1-2H3,(H2,12,13,14,15,19)
InChIKeyOIMGKWXVVGXMRW-UHFFFAOYSA-N
XLogP-0.43
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 78927502
1-(2-methoxyethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 83090099
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
3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylbenzoic acid
CID 119219316
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
6-oxo-1-propyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide
CID 87018833

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide (CID 78927868) is 1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)Nc2n[nH]c(C)n2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is OIMGKWXVVGXMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-7-12-11(15-14-7)13-10(19)8-3-4-9(18)17(16-8)5-6-20-2/h3-4H,5-6H2,1-2H3,(H2,12,13,14,15,19).
What are the key properties of 1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide?
1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 278.27 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 78927868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).