N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide

C10H12N6OS — CID 131944118

IUPACN-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide
SMILESCc1nc(SCCNC(=O)c2ccnnc2)n[nH]1
InChIInChI=1S/C10H12N6OS/c1-7-14-10(16-15-7)18-5-4-11-9(17)8-2-3-12-13-6-8/h2-3,6H,4-5H2,1H3,(H,11,17)(H,14,15,16)
InChIKeyKMYJPVWGUIGTNT-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.43
Rot. Bonds5

About N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide

N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide (PubChem CID 131944118) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide
PubChem CID131944118
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC NameN-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide
SMILESCc1nc(SCCNC(=O)c2ccnnc2)n[nH]1
InChIInChI=1S/C10H12N6OS/c1-7-14-10(16-15-7)18-5-4-11-9(17)8-2-3-12-13-6-8/h2-3,6H,4-5H2,1H3,(H,11,17)(H,14,15,16)
InChIKeyKMYJPVWGUIGTNT-UHFFFAOYSA-N
XLogP0.43
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72894692
3-chloro-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-4-pyrrolidin-1-ylbenzamide
CID 91786646
5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide
CID 56722867
1,3,5-trimethyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrazole-4-carboxamide
CID 100774434
N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70756855
2-methoxy-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-phenylacetamide
CID 91791842
N-(2-methoxyethyl)pyridazine-4-carboxamide
CID 143705997
N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72883606
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide
CID 91792961
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide
CID 77095486
(2R)-2-(4-fluorophenyl)-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-oxopiperazine-1-carboxamide
CID 126448670
(2S)-2-(4-fluorophenyl)-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-oxopiperazine-1-carboxamide
CID 126448671

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide?
The IUPAC name of N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide (CID 131944118) is N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide is Cc1nc(SCCNC(=O)c2ccnnc2)n[nH]1.
What is the InChIKey of N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide?
The InChIKey is KMYJPVWGUIGTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c1-7-14-10(16-15-7)18-5-4-11-9(17)8-2-3-12-13-6-8/h2-3,6H,4-5H2,1H3,(H,11,17)(H,14,15,16).
What are the key properties of N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide?
N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 131944118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).