3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide

C10H19N5OS — CID 63095245

IUPAC3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide
SMILESCCNC(=O)CCSc1nnc(N)n1C(C)C
InChIInChI=1S/C10H19N5OS/c1-4-12-8(16)5-6-17-10-14-13-9(11)15(10)7(2)3/h7H,4-6H2,1-3H3,(H2,11,13)(H,12,16)
InChIKeyCFZYKBYPYULCRV-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.06
Rot. Bonds6

About 3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide

3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide (PubChem CID 63095245) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide
PubChem CID63095245
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide
SMILESCCNC(=O)CCSc1nnc(N)n1C(C)C
InChIInChI=1S/C10H19N5OS/c1-4-12-8(16)5-6-17-10-14-13-9(11)15(10)7(2)3/h7H,4-6H2,1-3H3,(H2,11,13)(H,12,16)
InChIKeyCFZYKBYPYULCRV-UHFFFAOYSA-N
XLogP1.06
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide?
The IUPAC name of 3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide (CID 63095245) is 3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide.
What is the SMILES notation for 3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide?
The canonical SMILES for 3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide is CCNC(=O)CCSc1nnc(N)n1C(C)C.
What is the InChIKey of 3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide?
The InChIKey is CFZYKBYPYULCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-4-12-8(16)5-6-17-10-14-13-9(11)15(10)7(2)3/h7H,4-6H2,1-3H3,(H2,11,13)(H,12,16).
What are the key properties of 3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide?
3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide has a molecular weight of 257.36 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide is sourced from PubChem (CID 63095245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).