8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C12H20N6O2S — CID 75495005

IUPAC8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2n(n1)CCCC2NS(=O)(=O)N(C)CCC#N
InChIInChI=1S/C12H20N6O2S/c1-3-11-14-12-10(6-4-9-18(12)15-11)16-21(19,20)17(2)8-5-7-13/h10,16H,3-6,8-9H2,1-2H3
InChIKeyGQTUXICEIXWTDP-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.36
Rot. Bonds6

About 8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 75495005) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is 8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID75495005
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC Name8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2n(n1)CCCC2NS(=O)(=O)N(C)CCC#N
InChIInChI=1S/C12H20N6O2S/c1-3-11-14-12-10(6-4-9-18(12)15-11)16-21(19,20)17(2)8-5-7-13/h10,16H,3-6,8-9H2,1-2H3
InChIKeyGQTUXICEIXWTDP-UHFFFAOYSA-N
XLogP0.36
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 75495005) is 8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CCc1nc2n(n1)CCCC2NS(=O)(=O)N(C)CCC#N.
What is the InChIKey of 8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GQTUXICEIXWTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-3-11-14-12-10(6-4-9-18(12)15-11)16-21(19,20)17(2)8-5-7-13/h10,16H,3-6,8-9H2,1-2H3.
What are the key properties of 8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 312.40 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 75495005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).