N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide

C14H26N4O2S — CID 75522291

IUPACN-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NC1CCCn2nc(C(C)C)nc21
InChIInChI=1S/C14H26N4O2S/c1-4-5-6-10-21(19,20)17-12-8-7-9-18-14(12)15-13(16-18)11(2)3/h11-12,17H,4-10H2,1-3H3
InChIKeyMFDROMQGBACGGX-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.35
Rot. Bonds7

About N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide

N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide (PubChem CID 75522291) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide
PubChem CID75522291
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)NC1CCCn2nc(C(C)C)nc21
InChIInChI=1S/C14H26N4O2S/c1-4-5-6-10-21(19,20)17-12-8-7-9-18-14(12)15-13(16-18)11(2)3/h11-12,17H,4-10H2,1-3H3
InChIKeyMFDROMQGBACGGX-UHFFFAOYSA-N
XLogP2.35
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide?
The IUPAC name of N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide (CID 75522291) is N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide?
The canonical SMILES for N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide is CCCCCS(=O)(=O)NC1CCCn2nc(C(C)C)nc21.
What is the InChIKey of N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide?
The InChIKey is MFDROMQGBACGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-5-6-10-21(19,20)17-12-8-7-9-18-14(12)15-13(16-18)11(2)3/h11-12,17H,4-10H2,1-3H3.
What are the key properties of N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide?
N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide is sourced from PubChem (CID 75522291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).