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

C10H19N5OS — CID 63097173

IUPAC2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide
SMILESCC(Sc1nnc(N)n1C(C)C)C(=O)N(C)C
InChIInChI=1S/C10H19N5OS/c1-6(2)15-9(11)12-13-10(15)17-7(3)8(16)14(4)5/h6-7H,1-5H3,(H2,11,12)
InChIKeyUECSGOROWUORAS-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.01
Rot. Bonds4

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

2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide (PubChem CID 63097173) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide
PubChem CID63097173
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide
SMILESCC(Sc1nnc(N)n1C(C)C)C(=O)N(C)C
InChIInChI=1S/C10H19N5OS/c1-6(2)15-9(11)12-13-10(15)17-7(3)8(16)14(4)5/h6-7H,1-5H3,(H2,11,12)
InChIKeyUECSGOROWUORAS-UHFFFAOYSA-N
XLogP1.01
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide (CID 63097173) is 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide is CC(Sc1nnc(N)n1C(C)C)C(=O)N(C)C.
What is the InChIKey of 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide?
The InChIKey is UECSGOROWUORAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-6(2)15-9(11)12-13-10(15)17-7(3)8(16)14(4)5/h6-7H,1-5H3,(H2,11,12).
What are the key properties of 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide?
2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide has a molecular weight of 257.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 63097173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).