2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium

C18H25N8O3S+ — CID 163464621

IUPAC2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium
SMILESCC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCC[NH3+])nn3c2)c1
InChIInChI=1S/C18H24N8O3S/c1-18(2,3)25-30(28,29)14-8-13(9-20-10-14)12-4-5-15-22-16(24-26(15)11-12)23-17(27)21-7-6-19/h4-5,8-11,25H,6-7,19H2,1-3H3,(H2,21,23,24,27)/p+1
InChIKeyBRMCKEOBOYBLBD-UHFFFAOYSA-O
MW433.52 g/mol
LogP0.23
Rot. Bonds6

About 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium

2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium (PubChem CID 163464621) has the molecular formula C18H25N8O3S+ and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium.

Molecular Properties

Compound Name2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium
PubChem CID163464621
Molecular FormulaC18H25N8O3S+
Molecular Weight433.52 g/mol
Exact Mass433.18
IUPAC Name2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium
SMILESCC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCC[NH3+])nn3c2)c1
InChIInChI=1S/C18H24N8O3S/c1-18(2,3)25-30(28,29)14-8-13(9-20-10-14)12-4-5-15-22-16(24-26(15)11-12)23-17(27)21-7-6-19/h4-5,8-11,25H,6-7,19H2,1-3H3,(H2,21,23,24,27)/p+1
InChIKeyBRMCKEOBOYBLBD-UHFFFAOYSA-O
XLogP0.23
TPSA158.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium?
The IUPAC name of 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium (CID 163464621) is 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium.
What is the SMILES notation for 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium?
The canonical SMILES for 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium is CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(NC(=O)NCC[NH3+])nn3c2)c1.
What is the InChIKey of 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium?
The InChIKey is BRMCKEOBOYBLBD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24N8O3S/c1-18(2,3)25-30(28,29)14-8-13(9-20-10-14)12-4-5-15-22-16(24-26(15)11-12)23-17(27)21-7-6-19/h4-5,8-11,25H,6-7,19H2,1-3H3,(H2,21,23,24,27)/p+1.
What are the key properties of 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium?
2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium has a molecular weight of 433.52 g/mol, XLogP of 0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[5-(tert-butylsulfamoyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]ethylazanium is sourced from PubChem (CID 163464621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).