N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

C13H12N8O2S — CID 71805188

IUPACN-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESCNC(=O)Cc1csc(NC(=O)c2ccc(-n3cncn3)nn2)n1
InChIInChI=1S/C13H12N8O2S/c1-14-11(22)4-8-5-24-13(17-8)18-12(23)9-2-3-10(20-19-9)21-7-15-6-16-21/h2-3,5-7H,4H2,1H3,(H,14,22)(H,17,18,23)
InChIKeyQVDFJWGVLVDJTA-UHFFFAOYSA-N
MW344.36 g/mol
LogP0.05
Rot. Bonds5

About N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (PubChem CID 71805188) has the molecular formula C13H12N8O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
PubChem CID71805188
Molecular FormulaC13H12N8O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC NameN-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESCNC(=O)Cc1csc(NC(=O)c2ccc(-n3cncn3)nn2)n1
InChIInChI=1S/C13H12N8O2S/c1-14-11(22)4-8-5-24-13(17-8)18-12(23)9-2-3-10(20-19-9)21-7-15-6-16-21/h2-3,5-7H,4H2,1H3,(H,14,22)(H,17,18,23)
InChIKeyQVDFJWGVLVDJTA-UHFFFAOYSA-N
XLogP0.05
TPSA127.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (CID 71805188) is N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is CNC(=O)Cc1csc(NC(=O)c2ccc(-n3cncn3)nn2)n1.
What is the InChIKey of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is QVDFJWGVLVDJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N8O2S/c1-14-11(22)4-8-5-24-13(17-8)18-12(23)9-2-3-10(20-19-9)21-7-15-6-16-21/h2-3,5-7H,4H2,1H3,(H,14,22)(H,17,18,23).
What are the key properties of N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71805188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).