N-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

C10H15N5OS — CID 110385608

IUPACN-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCCCCNC(=O)CCc1nn2cnnc2s1
InChIInChI=1S/C10H15N5OS/c1-2-3-6-11-8(16)4-5-9-14-15-7-12-13-10(15)17-9/h7H,2-6H2,1H3,(H,11,16)
InChIKeyAVWOJGYEXSMOKI-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.03
Rot. Bonds6

About N-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

N-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385608) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is N-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385608
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC NameN-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCCCCNC(=O)CCc1nn2cnnc2s1
InChIInChI=1S/C10H15N5OS/c1-2-3-6-11-8(16)4-5-9-14-15-7-12-13-10(15)17-9/h7H,2-6H2,1H3,(H,11,16)
InChIKeyAVWOJGYEXSMOKI-UHFFFAOYSA-N
XLogP1.03
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.03
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-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385608) is N-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is CCCCNC(=O)CCc1nn2cnnc2s1.
What is the InChIKey of N-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is AVWOJGYEXSMOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-2-3-6-11-8(16)4-5-9-14-15-7-12-13-10(15)17-9/h7H,2-6H2,1H3,(H,11,16).
What are the key properties of N-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 253.33 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).