1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide

C12H15N5O3 — CID 32606682

IUPAC1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2cnn(C)c2)ccc1=O
InChIInChI=1S/C12H15N5O3/c1-16-8-9(7-13-16)14-12(19)10-3-4-11(18)17(15-10)5-6-20-2/h3-4,7-8H,5-6H2,1-2H3,(H,14,19)
InChIKeyOOOMNHMQHZYJLN-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.12
Rot. Bonds5

About 1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide

1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 32606682) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide
PubChem CID32606682
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)Nc2cnn(C)c2)ccc1=O
InChIInChI=1S/C12H15N5O3/c1-16-8-9(7-13-16)14-12(19)10-3-4-11(18)17(15-10)5-6-20-2/h3-4,7-8H,5-6H2,1-2H3,(H,14,19)
InChIKeyOOOMNHMQHZYJLN-UHFFFAOYSA-N
XLogP-0.12
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide (CID 32606682) is 1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)Nc2cnn(C)c2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is OOOMNHMQHZYJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-16-8-9(7-13-16)14-12(19)10-3-4-11(18)17(15-10)5-6-20-2/h3-4,7-8H,5-6H2,1-2H3,(H,14,19).
What are the key properties of 1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide?
1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 277.28 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 32606682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).