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

C8H14N4OS — CID 35699863

IUPACN-(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCC(C)CNC(=O)CSc1ncn[nH]1
InChIInChI=1S/C8H14N4OS/c1-6(2)3-9-7(13)4-14-8-10-5-11-12-8/h5-6H,3-4H2,1-2H3,(H,9,13)(H,10,11,12)
InChIKeyPTXZAKDWPVBNLX-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.67
Rot. Bonds5

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

N-(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 35699863) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID35699863
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCC(C)CNC(=O)CSc1ncn[nH]1
InChIInChI=1S/C8H14N4OS/c1-6(2)3-9-7(13)4-14-8-10-5-11-12-8/h5-6H,3-4H2,1-2H3,(H,9,13)(H,10,11,12)
InChIKeyPTXZAKDWPVBNLX-UHFFFAOYSA-N
XLogP0.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 35699863) is N-(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is CC(C)CNC(=O)CSc1ncn[nH]1.
What is the InChIKey of N-(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is PTXZAKDWPVBNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-6(2)3-9-7(13)4-14-8-10-5-11-12-8/h5-6H,3-4H2,1-2H3,(H,9,13)(H,10,11,12).
What are the key properties of N-(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 214.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 35699863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).