4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide

C17H15N7OS — CID 121036278

IUPAC4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C17H15N7OS/c1-2-4-14-16(26-23-20-14)17(25)19-12-6-3-5-11(9-12)13-7-8-15-21-18-10-24(15)22-13/h3,5-10H,2,4H2,1H3,(H,19,25)
InChIKeyJZPRXFWWRUMMFY-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.85
Rot. Bonds5

About 4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide

4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide (PubChem CID 121036278) has the molecular formula C17H15N7OS and a molecular weight of 365.42 g/mol. Its IUPAC name is 4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide
PubChem CID121036278
Molecular FormulaC17H15N7OS
Molecular Weight365.42 g/mol
Exact Mass365.11
IUPAC Name4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C17H15N7OS/c1-2-4-14-16(26-23-20-14)17(25)19-12-6-3-5-11(9-12)13-7-8-15-21-18-10-24(15)22-13/h3,5-10H,2,4H2,1H3,(H,19,25)
InChIKeyJZPRXFWWRUMMFY-UHFFFAOYSA-N
XLogP2.85
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532185
1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide
CID 121036280
N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121036246
4-chloro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532235
2-bromo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532195
4-ethyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]thiadiazole-5-carboxamide
CID 32576289
6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide
CID 71778535
6-oxo-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide
CID 121036292
3-cyano-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036202
3-methyl-4-nitro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532180
3-(2,5-dimethoxyphenyl)-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 121036272
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide (CID 121036278) is 4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)Nc1cccc(-c2ccc3nncn3n2)c1.
What is the InChIKey of 4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is JZPRXFWWRUMMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7OS/c1-2-4-14-16(26-23-20-14)17(25)19-12-6-3-5-11(9-12)13-7-8-15-21-18-10-24(15)22-13/h3,5-10H,2,4H2,1H3,(H,19,25).
What are the key properties of 4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide?
4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 121036278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).