N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C15H18N6O3S — CID 129002353

IUPACN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCc1nc2n(n1)CCCC2NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H18N6O3S/c1-2-13-18-14-11(4-3-7-21(14)19-13)20-25(23,24)9-5-6-10-12(8-9)17-15(22)16-10/h5-6,8,11,20H,2-4,7H2,1H3,(H2,16,17,22)
InChIKeyXRXDREMUWSBORL-UHFFFAOYSA-N
MW362.42 g/mol
LogP0.82
Rot. Bonds4

About N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 129002353) has the molecular formula C15H18N6O3S and a molecular weight of 362.42 g/mol. Its IUPAC name is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID129002353
Molecular FormulaC15H18N6O3S
Molecular Weight362.42 g/mol
Exact Mass362.12
IUPAC NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCCc1nc2n(n1)CCCC2NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H18N6O3S/c1-2-13-18-14-11(4-3-7-21(14)19-13)20-25(23,24)9-5-6-10-12(8-9)17-15(22)16-10/h5-6,8,11,20H,2-4,7H2,1H3,(H2,16,17,22)
InChIKeyXRXDREMUWSBORL-UHFFFAOYSA-N
XLogP0.82
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide with MolForge

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Related Compounds

N-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 129471125
N-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,3-benzodioxole-5-sulfonamide
CID 129471482
3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 154736367
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 75496235
N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777926
3-oxo-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-2-benzofuran-5-sulfonamide
CID 129000256
2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777909
ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate
CID 110413355
1-(2H-benzotriazol-5-yl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 75431637
5-(2-ethylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110604707
1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide
CID 128995165
8-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 75495005

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 129002353) is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is CCc1nc2n(n1)CCCC2NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is XRXDREMUWSBORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3S/c1-2-13-18-14-11(4-3-7-21(14)19-13)20-25(23,24)9-5-6-10-12(8-9)17-15(22)16-10/h5-6,8,11,20H,2-4,7H2,1H3,(H2,16,17,22).
What are the key properties of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 362.42 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 129002353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).