N-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C7H12N4OS — CID 20788113

IUPACN-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCCNC(=O)CSc1ncn[nH]1
InChIInChI=1S/C7H12N4OS/c1-2-3-8-6(12)4-13-7-9-5-10-11-7/h5H,2-4H2,1H3,(H,8,12)(H,9,10,11)
InChIKeyPAACRWYUCZONOM-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.42
Rot. Bonds5

About N-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 20788113) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is N-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID20788113
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC NameN-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCCNC(=O)CSc1ncn[nH]1
InChIInChI=1S/C7H12N4OS/c1-2-3-8-6(12)4-13-7-9-5-10-11-7/h5H,2-4H2,1H3,(H,8,12)(H,9,10,11)
InChIKeyPAACRWYUCZONOM-UHFFFAOYSA-N
XLogP0.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 20788113) is N-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is CCCNC(=O)CSc1ncn[nH]1.
What is the InChIKey of N-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is PAACRWYUCZONOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-2-3-8-6(12)4-13-7-9-5-10-11-7/h5H,2-4H2,1H3,(H,8,12)(H,9,10,11).
What are the key properties of N-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 200.27 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 20788113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).