6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide

C18H15N7O2S — CID 133374448

IUPAC6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide
SMILESCc1occc1-c1nnc(Sc2ccc(C(=O)Nc3ccccc3)nn2)n1N
InChIInChI=1S/C18H15N7O2S/c1-11-13(9-10-27-11)16-23-24-18(25(16)19)28-15-8-7-14(21-22-15)17(26)20-12-5-3-2-4-6-12/h2-10H,19H2,1H3,(H,20,26)
InChIKeyPOWZUJHATNXSCW-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.75
Rot. Bonds5

About 6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide

6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide (PubChem CID 133374448) has the molecular formula C18H15N7O2S and a molecular weight of 393.43 g/mol. Its IUPAC name is 6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide
PubChem CID133374448
Molecular FormulaC18H15N7O2S
Molecular Weight393.43 g/mol
Exact Mass393.10
IUPAC Name6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide
SMILESCc1occc1-c1nnc(Sc2ccc(C(=O)Nc3ccccc3)nn2)n1N
InChIInChI=1S/C18H15N7O2S/c1-11-13(9-10-27-11)16-23-24-18(25(16)19)28-15-8-7-14(21-22-15)17(26)20-12-5-3-2-4-6-12/h2-10H,19H2,1H3,(H,20,26)
InChIKeyPOWZUJHATNXSCW-UHFFFAOYSA-N
XLogP2.75
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide with MolForge

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Related Compounds

6-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide
CID 133313566
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
CID 29312210
6-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-phenylpyridazine-3-carboxamide
CID 133313388
N'-[2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-chlorobenzohydrazide
CID 55323745
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 29312169
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 29312254
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43028507
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 29312227
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dichlorophenyl)acetamide
CID 29312235
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 27965760
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 29312209
3-(2-methylfuran-3-yl)-5-(4-methylpyrimidin-2-yl)sulfanyl-1,2,4-triazol-4-amine
CID 133374393

Frequently Asked Questions

What is the IUPAC name of 6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide (CID 133374448) is 6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide is Cc1occc1-c1nnc(Sc2ccc(C(=O)Nc3ccccc3)nn2)n1N.
What is the InChIKey of 6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide?
The InChIKey is POWZUJHATNXSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2S/c1-11-13(9-10-27-11)16-23-24-18(25(16)19)28-15-8-7-14(21-22-15)17(26)20-12-5-3-2-4-6-12/h2-10H,19H2,1H3,(H,20,26).
What are the key properties of 6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide?
6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133374448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).