1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide

C11H14N6O3 — CID 60982803

IUPAC1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCc2ncn[nH]2)ccc1=O
InChIInChI=1S/C11H14N6O3/c1-20-5-4-17-10(18)3-2-8(16-17)11(19)12-6-9-13-7-14-15-9/h2-3,7H,4-6H2,1H3,(H,12,19)(H,13,14,15)
InChIKeyHEIRXRMXXYRZOQ-UHFFFAOYSA-N
MW278.27 g/mol
LogP-1.06
Rot. Bonds6

About 1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide

1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide (PubChem CID 60982803) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
PubChem CID60982803
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCc2ncn[nH]2)ccc1=O
InChIInChI=1S/C11H14N6O3/c1-20-5-4-17-10(18)3-2-8(16-17)11(19)12-6-9-13-7-14-15-9/h2-3,7H,4-6H2,1H3,(H,12,19)(H,13,14,15)
InChIKeyHEIRXRMXXYRZOQ-UHFFFAOYSA-N
XLogP-1.06
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide (CID 60982803) is 1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide is COCCn1nc(C(=O)NCc2ncn[nH]2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is HEIRXRMXXYRZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-20-5-4-17-10(18)3-2-8(16-17)11(19)12-6-9-13-7-14-15-9/h2-3,7H,4-6H2,1H3,(H,12,19)(H,13,14,15).
What are the key properties of 1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide?
1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 278.27 g/mol, XLogP of -1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 60982803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).