N-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide

C10H15N5O2S — CID 67014451

IUPACN-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)Nc1ccn2ncnc2n1
InChIInChI=1S/C10H15N5O2S/c1-2-3-4-7-18(16,17)14-9-5-6-15-10(13-9)11-8-12-15/h5-6,8H,2-4,7H2,1H3,(H,11,12,13,14)
InChIKeyGIUSHEGAXCOPBA-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.06
Rot. Bonds6

About N-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide

N-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide (PubChem CID 67014451) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide
PubChem CID67014451
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC NameN-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)Nc1ccn2ncnc2n1
InChIInChI=1S/C10H15N5O2S/c1-2-3-4-7-18(16,17)14-9-5-6-15-10(13-9)11-8-12-15/h5-6,8H,2-4,7H2,1H3,(H,11,12,13,14)
InChIKeyGIUSHEGAXCOPBA-UHFFFAOYSA-N
XLogP1.06
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide?
The IUPAC name of N-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide (CID 67014451) is N-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide?
The canonical SMILES for N-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide is CCCCCS(=O)(=O)Nc1ccn2ncnc2n1.
What is the InChIKey of N-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide?
The InChIKey is GIUSHEGAXCOPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-2-3-4-7-18(16,17)14-9-5-6-15-10(13-9)11-8-12-15/h5-6,8H,2-4,7H2,1H3,(H,11,12,13,14).
What are the key properties of N-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide?
N-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pentane-1-sulfonamide is sourced from PubChem (CID 67014451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).