N-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C11H16N4OS — CID 39952510

IUPACN-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCN(C(=O)CSc1ncn[nH]1)C1=CCCC1
InChIInChI=1S/C11H16N4OS/c1-2-15(9-5-3-4-6-9)10(16)7-17-11-12-8-13-14-11/h5,8H,2-4,6-7H2,1H3,(H,12,13,14)
InChIKeyKAVQXXKFENDXFK-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.81
Rot. Bonds5

About N-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 39952510) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID39952510
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCN(C(=O)CSc1ncn[nH]1)C1=CCCC1
InChIInChI=1S/C11H16N4OS/c1-2-15(9-5-3-4-6-9)10(16)7-17-11-12-8-13-14-11/h5,8H,2-4,6-7H2,1H3,(H,12,13,14)
InChIKeyKAVQXXKFENDXFK-UHFFFAOYSA-N
XLogP1.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 39952510) is N-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is CCN(C(=O)CSc1ncn[nH]1)C1=CCCC1.
What is the InChIKey of N-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is KAVQXXKFENDXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-2-15(9-5-3-4-6-9)10(16)7-17-11-12-8-13-14-11/h5,8H,2-4,6-7H2,1H3,(H,12,13,14).
What are the key properties of N-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 252.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenten-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 39952510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).