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

C14H14N6O2S — CID 71802171

IUPAC1-methyl-6-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCc2csc(-n3cccn3)n2)ccc1=O
InChIInChI=1S/C14H14N6O2S/c1-19-12(21)4-3-11(18-19)13(22)15-7-5-10-9-23-14(17-10)20-8-2-6-16-20/h2-4,6,8-9H,5,7H2,1H3,(H,15,22)
InChIKeyNIGZLUDIFPBPRH-UHFFFAOYSA-N
MW330.37 g/mol
LogP0.40
Rot. Bonds5

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

1-methyl-6-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyridazine-3-carboxamide (PubChem CID 71802171) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyridazine-3-carboxamide
PubChem CID71802171
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name1-methyl-6-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCc2csc(-n3cccn3)n2)ccc1=O
InChIInChI=1S/C14H14N6O2S/c1-19-12(21)4-3-11(18-19)13(22)15-7-5-10-9-23-14(17-10)20-8-2-6-16-20/h2-4,6,8-9H,5,7H2,1H3,(H,15,22)
InChIKeyNIGZLUDIFPBPRH-UHFFFAOYSA-N
XLogP0.40
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyridazine-3-carboxamide (CID 71802171) is 1-methyl-6-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyridazine-3-carboxamide is Cn1nc(C(=O)NCCc2csc(-n3cccn3)n2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyridazine-3-carboxamide?
The InChIKey is NIGZLUDIFPBPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-19-12(21)4-3-11(18-19)13(22)15-7-5-10-9-23-14(17-10)20-8-2-6-16-20/h2-4,6,8-9H,5,7H2,1H3,(H,15,22).
What are the key properties of 1-methyl-6-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyridazine-3-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 71802171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).