5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide

C15H18N6O2S — CID 123147795

IUPAC5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide
SMILESNc1nc2ccc(CCCCc3cncc(S(N)(=O)=O)c3)cn2n1
InChIInChI=1S/C15H18N6O2S/c16-15-19-14-6-5-11(10-21(14)20-15)3-1-2-4-12-7-13(9-18-8-12)24(17,22)23/h5-10H,1-4H2,(H2,16,20)(H2,17,22,23)
InChIKeyRCTBOVFHPDWAPS-UHFFFAOYSA-N
MW346.42 g/mol
LogP0.92
Rot. Bonds6

About 5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide

5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide (PubChem CID 123147795) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide
PubChem CID123147795
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide
SMILESNc1nc2ccc(CCCCc3cncc(S(N)(=O)=O)c3)cn2n1
InChIInChI=1S/C15H18N6O2S/c16-15-19-14-6-5-11(10-21(14)20-15)3-1-2-4-12-7-13(9-18-8-12)24(17,22)23/h5-10H,1-4H2,(H2,16,20)(H2,17,22,23)
InChIKeyRCTBOVFHPDWAPS-UHFFFAOYSA-N
XLogP0.92
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide?
The IUPAC name of 5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide (CID 123147795) is 5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide is Nc1nc2ccc(CCCCc3cncc(S(N)(=O)=O)c3)cn2n1.
What is the InChIKey of 5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide?
The InChIKey is RCTBOVFHPDWAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c16-15-19-14-6-5-11(10-21(14)20-15)3-1-2-4-12-7-13(9-18-8-12)24(17,22)23/h5-10H,1-4H2,(H2,16,20)(H2,17,22,23).
What are the key properties of 5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide?
5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide has a molecular weight of 346.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butyl]pyridine-3-sulfonamide is sourced from PubChem (CID 123147795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).